Geometry & MOs

Info

ID:	297748
PubChem CID:	117629014
Reduced:	FON5H10C12 (1)
Stoich.:	ABC5D10E12 (1)
Weight, g/mol:	355.04326
ΔH_f, kcal/mol:	-7.3
Dipole, Da:	8.13
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-aminocyclohexa-2,5-dien-1-ylidene)amino]-N-(3-bromophenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)CNC2=NC(=O)NC3=C2NC=N3

DOS

IR

Vibrations