Geometry & MOs

Info

ID:	46413
PubChem CID:	10524302
Reduced:	FOCl2N3H12C19 (1)
Stoich.:	ABC2D3E12F19 (1)
Weight, g/mol:	387.045379
ΔH_f, kcal/mol:	12.95
Dipole, Da:	3.23
IP(EA), eV:	-8.81(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(3-chloro-4-fluorophenyl)-5-(4-chlorophenyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=CN(C3=C2C(=NC=N3)Cl)C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations