Geometry & MOs

Info

ID:	342681
PubChem CID:	127265841
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	5.07
IP(EA), eV:	-9.12(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)NCC2OCCCO2

DOS

IR

Vibrations