Geometry & MOs

Info

ID:	364480
PubChem CID:	127315732
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-21.52
Dipole, Da:	4.83
IP(EA), eV:	-8.79(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=CN2C)C

DOS

IR

Vibrations