Geometry & MOs

Info

ID:	364441
PubChem CID:	127315693
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	238.113984
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	5.6
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-thiophen-3-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations