Geometry & MOs

Info

ID:

168883

PubChem CID:

75036389

Reduced:

N3O3C12H17 (2)

Stoich.:

A3B3C12D17 (2)

Weight, g/mol:

526.251538

ΔHf, kcal/mol:

-175.41

Dipole, Da:

6.95

IP(EA), eV:

 -8.48(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[6-(1-hydroxypropan-2-yl)-8-methyl-5-oxo-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-9-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1CN(C(=O)CCCN2C(=CN=N2)COC1CN(C)C(=O)NC3=CC4=C(C=C3)OCO4)C(C)CO

DOS

IR

Vibrations