Geometry & MOs

Info

ID:	364521
PubChem CID:	127315773
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	5.67
IP(EA), eV:	-8.84(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2(CCCC2)C#N)C

DOS

IR

Vibrations