Geometry & MOs

Info

ID:	25717
PubChem CID:	629616
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	323.034065
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	4.78
IP(EA), eV:	-8.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dichloro-1-methylbenzimidazol-2-yl)amino]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C3=CC=CC(=C3)C)C

DOS

IR

Vibrations