Geometry & MOs

Info

ID:	14905
PubChem CID:	423974
Reduced:	OCl2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	401.081016
ΔH_f, kcal/mol:	25.35
Dipole, Da:	7.97
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-[4-[[2,6-diamino-5-(4-chlorophenyl)pyrimidin-4-yl]methylamino]phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CNC3=CC=C(C=C3)C(=O)CCl)Cl

DOS

IR

Vibrations