Geometry & MOs

Info

ID:	122023
PubChem CID:	50790184
Reduced:	ON3C25H27 (1)
Stoich.:	AB3C25D27 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	10.79
Dipole, Da:	3.64
IP(EA), eV:	-8.58(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-4-methyl-4,6-dihydropyrrolo[1,2-a][1,4]benzodiazepine-5-carboxamide

Drug info:

PubChemData

Smile

CCC1C2=CC=CN2C3=CC=CC=C3CN1C(=O)NC4=CC=CC5=C4CCCC5

DOS

IR

Vibrations