Geometry & MOs

Info

ID:	225758
PubChem CID:	87225939
Reduced:	N4C13H24 (1)
Stoich.:	A4B13C24 (1)
Weight, g/mol:	472.236208
ΔH_f, kcal/mol:	22.13
Dipole, Da:	3.87
IP(EA), eV:	-8.51(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[(1-ethylpiperidin-4-yl)amino]-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C1CCNCC1)N2CCN(CC2)CC#N

DOS

IR

Vibrations