Geometry & MOs

Info

ID:	218080
PubChem CID:	85088828
Reduced:	N2F3O3H17C23 (1)
Stoich.:	A2B3C3D17E23 (1)
Weight, g/mol:	426.132805
ΔH_f, kcal/mol:	-183.67
Dipole, Da:	7.56
IP(EA), eV:	-8.81(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(3-nitrophenyl)methylideneamino]-1-oxo-4-phenylisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1C=CC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations