Geometry & MOs

Info

ID:	434013
PubChem CID:	135174166
Reduced:	ClON2C23H31 (1)
Stoich.:	ABC2D23E31 (1)
Weight, g/mol:	352.251464
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	2.65
IP(EA), eV:	-8.74(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(4-butylphenyl)methoxy]phenyl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)COC2=CC(=CC(=C2)CNC3CCNCC3)Cl

DOS

IR

Vibrations