Geometry & MOs

Info

ID:	342473
PubChem CID:	127265628
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-29.64
Dipole, Da:	1.32
IP(EA), eV:	-8.84(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(4-methoxyphenyl)-2-methylprop-2-enyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=CC1=CC=CC=C1)CN2CCCC(C2)O

DOS

IR

Vibrations