Geometry & MOs

Info

ID:	435827
PubChem CID:	135192518
Reduced:	NC10H19 (1)
Stoich.:	AB10C19 (1)
Weight, g/mol:	611.172705
ΔH_f, kcal/mol:	-8.05
Dipole, Da:	2.13
IP(EA), eV:	-8.74(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-[4-[2-[amino-[(E)-2-amino-2-chloroethenyl]amino]-5-chlorophenyl]-6-oxopyrimidin-1-yl]-10-fluoro-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one

Drug info:

PubChemData

Smile

CCC=N/C(=C\CC(C)C)/C

DOS

IR

Vibrations