Geometry & MOs

Info

ID:

177306

PubChem CID:

76164675

Reduced:

N3O3C21H29 (2)

Stoich.:

A3B3C21D29 (2)

Weight, g/mol:

826.462913

ΔHf, kcal/mol:

-179.0

Dipole, Da:

8.72

IP(EA), eV:

 -8.19(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(cyclopropylmethyl)-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-5-prop-1-enyl-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC=CC1=CC=C2C3C(CN2C1=O)C(C(N3CC4CC4)C(=O)N(C)C)CO.CC=CC1=CC=C2C3C(CN2C1=O)C(C(N3CC4CC4)C(=O)N(C)C)CO

DOS

IR

Vibrations