Geometry & MOs

Info

ID:	364446
PubChem CID:	127315698
Reduced:	ON2C15H22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	252.129634
ΔH_f, kcal/mol:	-23.32
Dipole, Da:	3.44
IP(EA), eV:	-8.63(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(3-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=CC=C2C)C

DOS

IR

Vibrations