Geometry & MOs

Info

ID:	299905
PubChem CID:	117927954
Reduced:	NC6H7 (5)
Stoich.:	AB6C7 (5)
Weight, g/mol:	429.149557
ΔH_f, kcal/mol:	100.56
Dipole, Da:	2.85
IP(EA), eV:	-8.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[[2-(3-chlorophenyl)ethylamino]methyl]naphthalen-1-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)N(CC2=CC=C(C=C2)N(C)C3=CC=NC=C3)C4=CC=NC5=CC=CC=C54

DOS

IR

Vibrations