Geometry & MOs

Info

ID:	434006
PubChem CID:	135174156
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	348.256549
ΔH_f, kcal/mol:	1.98
Dipole, Da:	3.29
IP(EA), eV:	-8.88(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(E)-2-(4-butylphenyl)ethenyl]phenyl]methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)COC2=CC=CC(=C2)CNCC3CNC3

DOS

IR

Vibrations