Geometry & MOs

Info

ID:	429643
PubChem CID:	135169692
Reduced:	N4C9H12 (1)
Stoich.:	A4B9C12 (1)
Weight, g/mol:	473.21395
ΔH_f, kcal/mol:	121.16
Dipole, Da:	5.18
IP(EA), eV:	-8.85(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-ethenyl-5,5-difluoro-4-N-isoquinolin-5-yl-4-N-methyl-2-N-[5-methyl-6-(triazol-2-yl)pyridin-3-yl]hexa-1,3-diene-2,4-diamine

Drug info:

PubChemData

Smile

C/C/1=C/C(=C/N/N=C\C=N/N=C1)/C

DOS

IR

Vibrations