Geometry & MOs

Info

ID:	206539
PubChem CID:	80266874
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-31.29
Dipole, Da:	4.43
IP(EA), eV:	-9.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=N1)C(=O)C2CCCC2N

DOS

IR

Vibrations