Geometry & MOs

Info

ID:	216339
PubChem CID:	85086072
Reduced:	O3C16H16 (1)
Stoich.:	A3B16C16 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	-79.84
Dipole, Da:	3.69
IP(EA), eV:	-8.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-hydroxypropyl)pyridin-1-ium-1-yl]benzenecarboximidate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CCC3C(C(=O)O3)CO

DOS

IR

Vibrations