Geometry & MOs

Info

ID:	256847
PubChem CID:	103141828
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	30.82
Dipole, Da:	10.02
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylthiophen-3-yl)methyl]-5-nitroisoquinolin-8-amine

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)NC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-])C

DOS

IR

Vibrations