Geometry & MOs

Info

ID:	55955
PubChem CID:	17397810
Reduced:	NO2H5C6 (3)
Stoich.:	AB2C5D6 (3)
Weight, g/mol:	370.134028
ΔH_f, kcal/mol:	-104.84
Dipole, Da:	7.29
IP(EA), eV:	-9.2(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[2-(difluoromethoxy)phenyl]-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations