Geometry & MOs

Info

ID:	364404
PubChem CID:	127315643
Reduced:	OSN3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	266.145285
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	4.96
IP(EA), eV:	-8.9(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(4,5-dimethylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(N=C(S2)C)C)C

DOS

IR

Vibrations