Geometry & MOs

Info

ID:	350356
PubChem CID:	127277434
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-18.41
Dipole, Da:	3.74
IP(EA), eV:	-8.8(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCN(C3=CC=CC=C3C2)C

DOS

IR

Vibrations