Geometry & MOs

Info

ID:	364407
PubChem CID:	127315646
Reduced:	O2N3C13H23 (1)
Stoich.:	A2B3C13D23 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	3.29
IP(EA), eV:	-8.88(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)CN2CCCC2=O)C

DOS

IR

Vibrations