Geometry & MOs

Info

ID:	257180
PubChem CID:	103144241
Reduced:	N4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	266.080376
ΔH_f, kcal/mol:	75.58
Dipole, Da:	4.03
IP(EA), eV:	-9.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-isoquinolin-8-yl-5-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)N)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations