Geometry & MOs

Info

ID:	234635
PubChem CID:	92303209
Reduced:	N3O5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	277.06987
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	5.64
IP(EA), eV:	-10.18(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C([C@@H](NC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations