Geometry & MOs

Info

ID:	122541
PubChem CID:	50811215
Reduced:	N2O2H13C14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	449.231456
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	4.38
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-6-(2-methoxyphenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C(O2)C)CN3C(=O)C4=C(N=C(C=C4C)C)N(C3=O)C5=CC=CC=C5OC

DOS

IR

Vibrations