Geometry & MOs

Info

ID:	364473
PubChem CID:	127315725
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-20.71
Dipole, Da:	5.26
IP(EA), eV:	-8.85(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations