Geometry & MOs

Info

ID:	209678
PubChem CID:	80702709
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-23.11
Dipole, Da:	8.97
IP(EA), eV:	-9.04(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(8-nitroisoquinolin-5-yl)piperidin-4-ol

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-])O

DOS

IR

Vibrations