Geometry & MOs

Info

ID:	256848
PubChem CID:	103141836
Reduced:	SO2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	62.71
Dipole, Da:	9.04
IP(EA), eV:	-9.06(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-N-(thian-2-ylmethyl)isoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1=CSC=C1CNC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations