Geometry & MOs

Info

ID:	256754
PubChem CID:	103141131
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	28.24
Dipole, Da:	9.53
IP(EA), eV:	-9.06(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-propan-2-ylisoquinolin-8-amine

Drug info:

PubChemData

Smile

CCCNC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations