Geometry & MOs

Info

ID:	238198
PubChem CID:	92729783
Reduced:	N2O2C11H12 (2)
Stoich.:	A2B2C11D12 (2)
Weight, g/mol:	453.205242
ΔH_f, kcal/mol:	-96.9
Dipole, Da:	6.12
IP(EA), eV:	-9.14(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]methyl]-N-(3,5-dimethylphenyl)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C)NC(=O)NC1=CC=CC(=C1)C2=NN=C(O2)CC3=CC=C(C=C3)C

DOS

IR

Vibrations