Geometry & MOs

Info

ID:	429918
PubChem CID:	135169973
Reduced:	N3H13C14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	487.11352
ΔH_f, kcal/mol:	98.09
Dipole, Da:	4.98
IP(EA), eV:	-8.35(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[amino-[(Z)-2-aminoethenyl]amino]-3-chlorophenyl]-1-isoquinolin-8-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C=C/C(=C/N)/C=NC1=CC=CC2=C1C=CC=N2

DOS

IR

Vibrations