Geometry & MOs

Info

ID:	404204
PubChem CID:	135065390
Reduced:	INOC22H22 (1)
Stoich.:	ABCD22E22 (1)
Weight, g/mol:	416.282764
ΔH_f, kcal/mol:	46.51
Dipole, Da:	1.54
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2S,4R)-1-[(4-methoxyphenyl)methyl]-4-naphthalen-2-ylazetidin-2-yl]methyl]-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2[C@@H](C[C@@H]2C3=CC4=CC=CC=C4C=C3)CI

DOS

IR

Vibrations