Geometry & MOs

Info

ID:	350355
PubChem CID:	127277433
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-91.73
Dipole, Da:	1.48
IP(EA), eV:	-9.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CCC(=O)N(CC3=CC=NC=C3)C4CC4

DOS

IR

Vibrations