Geometry & MOs

Info

ID:	256695
PubChem CID:	103140753
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	268.193949
ΔH_f, kcal/mol:	35.26
Dipole, Da:	8.4
IP(EA), eV:	-8.92(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-isoquinolin-8-yl-N-propylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1CNC(CN1C2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations