Geometry & MOs

Info

ID:	429955
PubChem CID:	135170010
Reduced:	ISN4H15C22 (1)
Stoich.:	ABC4D15E22 (1)
Weight, g/mol:	523.18095
ΔH_f, kcal/mol:	146.64
Dipole, Da:	2.87
IP(EA), eV:	-8.99(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-3-[1-(2-aminoethyl)isoquinolin-4-yl]imino-2-(aminomethylidene)-4,4-difluoro-N-[5-phosphanyl-6-(triazol-2-yl)pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C(C=CN=C12)C3=CN=CC=C3)C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations