Geometry & MOs

Info

ID:	364465
PubChem CID:	127315717
Reduced:	OSN2C11H22 (1)
Stoich.:	ABC2D11E22 (1)
Weight, g/mol:	269.12949
ΔH_f, kcal/mol:	-56.3
Dipole, Da:	5.97
IP(EA), eV:	-8.5(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-1-methylpyrrol-2-yl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C(C)SC)C

DOS

IR

Vibrations