Geometry & MOs

Info

ID:	1108
PubChem CID:	3797
Reduced:	NOC23H25 (1)
Stoich.:	ABC23D25 (1)
Weight, g/mol:	331.193614
ΔH_f, kcal/mol:	14.53
Dipole, Da:	2.55
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C)N(CCC(=O)C1=CC2=CC=CC=C2C=C1)CC3=CC=CC=C3

DOS

IR

Vibrations