Geometry & MOs

Info

ID:	429882
PubChem CID:	135169936
Reduced:	F3N4H13C14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	502.113186
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	5.61
IP(EA), eV:	-8.63(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(aminomethylidene)-N-[5-chloro-6-(2-oxopyrrolidin-1-yl)pyridin-3-yl]-4,4,4-trifluoro-3-isoquinolin-4-yliminobutanamide

Drug info:

PubChemData

Smile

CC1=CN=C2N1C(=CC=C2)/N=C(/C(=C\N)/C=C)\C(F)(F)F

DOS

IR

Vibrations