Geometry & MOs

Info

ID:

308661

PubChem CID:

126497291

Reduced:

N3C17H17 (2)

Stoich.:

A3B17C17 (2)

Weight, g/mol:

426.288243

ΔHf, kcal/mol:

164.91

Dipole, Da:

4.35

IP(EA), eV:

 -7.99(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,9R,13S)-17-(cyclopropylmethyl)-13-ethyl-4-methoxy-13-morpholin-4-yl-11-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Drug info:

PubChemData

Smile

CC1C(C2N(C=CN2C3=CC=CC=C13)C)C4N(C5=NC(=NC=C5N4C6=CC=CC=C6C=C)C7=CC=CC=C7C)C

DOS

IR

Vibrations