Geometry & MOs

Info

ID:	434377
PubChem CID:	135174810
Reduced:	NSO5C19H31 (1)
Stoich.:	ABC5D19E31 (1)
Weight, g/mol:	352.251464
ΔH_f, kcal/mol:	-196.53
Dipole, Da:	3.33
IP(EA), eV:	-8.21(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)COCCOCCOCCOC1=CC=C(C=C1)NC(C)SC

DOS

IR

Vibrations