Geometry & MOs

Info

ID:	364460
PubChem CID:	127315712
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	-28.76
Dipole, Da:	4.56
IP(EA), eV:	-8.77(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CCC3=CC=CC=C23)C

DOS

IR

Vibrations