Geometry & MOs

Info

ID:	375245
PubChem CID:	131481063
Reduced:	ClNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-48.81
Dipole, Da:	1.9
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[[(3S)-piperidin-3-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1CCC(C1)C(C2=C(C=C(C=C2)O)Cl)N

DOS

IR

Vibrations