Geometry & MOs

Info

ID:	152744
PubChem CID:	56311803
Reduced:	FO2N4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-128.25
Dipole, Da:	3.35
IP(EA), eV:	-8.95(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methoxyphenyl)methyl]-1-[(5-nitrothiophen-3-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC(=O)CN1CCCN(CC1)CC2=CC=CC=C2F

DOS

IR

Vibrations