Geometry & MOs

Info

ID:	350236
PubChem CID:	127277314
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	2.12
IP(EA), eV:	-9.27(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methylcyclopropyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCCN(CC2)C(=O)C(C)C

DOS

IR

Vibrations