Geometry & MOs

Info

ID:	19291
PubChem CID:	559956
Reduced:	N3O6C16H19 (1)
Stoich.:	A3B6C16D19 (1)
Weight, g/mol:	349.127385
ΔH_f, kcal/mol:	-162.1
Dipole, Da:	6.67
IP(EA), eV:	-9.77(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(2-hydroxyethyl)-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])CCO)C

DOS

IR

Vibrations