Geometry & MOs

Info

ID:	206632
PubChem CID:	80276823
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-91.08
Dipole, Da:	4.38
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-carbamoyl-2-methylpiperidin-1-yl)-4-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)O)NC2=CC=CC=C2COC

DOS

IR

Vibrations