Geometry & MOs

Info

ID:	336418
PubChem CID:	127255425
Reduced:	NO2C16H21 (2)
Stoich.:	AB2C16D21 (2)
Weight, g/mol:	366.267114
ΔH_f, kcal/mol:	-128.94
Dipole, Da:	2.68
IP(EA), eV:	-8.42(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-(2-piperidin-1-ylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=CC=CC=C1N2CCCCC2)NCC3=CC=C(C=C3)OC.C1=CC=C(C=C1)[C@@H](C(=O)O)O

DOS

IR

Vibrations