Geometry & MOs

Info

ID:	233321
PubChem CID:	89650005
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	3.04
IP(EA), eV:	-9.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(1,2,3,4-tetrahydroisoquinolin-3-yl)piperidin-4-ol

Drug info:

PubChemData

Smile

CCNC(=O)NC1=NC=C(C(=C1)NC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations