Geometry & MOs

Info

ID:	122024
PubChem CID:	50790185
Reduced:	ON3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	16.65
Dipole, Da:	2.53
IP(EA), eV:	-8.61(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-4-methyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

CC1C2=CC=CN2C3=CC=CC=C3CN1C(=O)NC4=CC=CC(=C4C)C

DOS

IR

Vibrations