Geometry & MOs

Info

ID:	434375
PubChem CID:	135174808
Reduced:	FNS2O4C17H26 (1)
Stoich.:	ABC2D4E17F26 (1)
Weight, g/mol:	352.251464
ΔH_f, kcal/mol:	-183.47
Dipole, Da:	4.77
IP(EA), eV:	-8.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)COCCCOCCCOC1=C(C=C(C=C1)NS(=S)C)F

DOS

IR

Vibrations