Geometry & MOs

Info

ID:	122031
PubChem CID:	50790277
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	450.241962
ΔH_f, kcal/mol:	-58.42
Dipole, Da:	4.77
IP(EA), eV:	-9.0(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)N2CC3=CC=CC=C3N4C=CC=C4C2C

DOS

IR

Vibrations