Geometry & MOs

Info

ID:	237691
PubChem CID:	92720844
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-31.0
Dipole, Da:	6.05
IP(EA), eV:	-8.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-(1-ethylbenzimidazol-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)[C@@H]2C3=C(C(=O)N2C)NN=C3C4=CC=C(C=C4)C)O

DOS

IR

Vibrations