Geometry & MOs

Info

ID:	364488
PubChem CID:	127315740
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	238.113984
ΔH_f, kcal/mol:	-34.72
Dipole, Da:	4.27
IP(EA), eV:	-8.65(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=CC(=C2)C)C)C

DOS

IR

Vibrations