Geometry & MOs

Info

ID:	350357
PubChem CID:	127277435
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	9.32
IP(EA), eV:	-9.14(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations