Geometry & MOs

Info

ID:	441991
PubChem CID:	135247505
Reduced:	NOC21H21 (1)
Stoich.:	ABC21D21 (1)
Weight, g/mol:	347.188529
ΔH_f, kcal/mol:	10.53
Dipole, Da:	2.6
IP(EA), eV:	-8.49(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[4-(3-aminopentan-3-yl)phenyl]naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C2C=CC3=C(C2=CC=C1)C4=C(O3)C=C(C=C4)C(C)(C)N

DOS

IR

Vibrations