Geometry & MOs

Info

ID:	121145
PubChem CID:	50757262
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	454.164105
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	7.99
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-4-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)C3=CC4=CC=CC=C4N3CC2(C)C(=O)NCC5CCCO5

DOS

IR

Vibrations