Geometry & MOs

Info

ID:	342631
PubChem CID:	127265791
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	345.096085
ΔH_f, kcal/mol:	-109.07
Dipole, Da:	5.61
IP(EA), eV:	-9.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-(3-hydroxy-4-nitrophenyl)prop-1-en-2-yl]-6-oxo-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1CC(C1(C)C)(CNC(=O)C=CC2=CN=CC(=C2)C)O

DOS

IR

Vibrations