Geometry & MOs

Info

ID:	378164
PubChem CID:	134224238
Reduced:	ON4H8C10 (2)
Stoich.:	AB4C8D10 (2)
Weight, g/mol:	435.121051
ΔH_f, kcal/mol:	82.43
Dipole, Da:	5.01
IP(EA), eV:	-8.51(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(3H-benzimidazol-5-ylamino)-5-chloropyrimidin-4-yl]amino]phenyl]-N,N-dimethyl-2-oxoacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C(=O)N2C=CN=C2)NC3=NC(=NC=C3)NC4=CN=C(C=C4)N

DOS

IR

Vibrations