Geometry & MOs

Info

ID:	350203
PubChem CID:	127277281
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-13.49
Dipole, Da:	3.55
IP(EA), eV:	-8.81(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-propan-2-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)N(C)C

DOS

IR

Vibrations