Geometry & MOs

Info

ID:	162631
PubChem CID:	57410848
Reduced:	FO2N3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	328.132411
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	4.68
IP(EA), eV:	-8.99(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-(1H-indazol-4-yl)isoquinolin-3-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C2=CC3=CN=C(C=C3C=C2)NC(=O)NC4COC4

DOS

IR

Vibrations