Geometry & MOs

Info

ID:	205746
PubChem CID:	80149955
Reduced:	N3C17H29 (1)
Stoich.:	A3B17C29 (1)
Weight, g/mol:	248.116092
ΔH_f, kcal/mol:	21.84
Dipole, Da:	0.69
IP(EA), eV:	-8.77(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-oxoazepan-1-yl)methyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)CN(CC)CC1=NC=C(C=C1)CNC2CC2

DOS

IR

Vibrations