Geometry & MOs

Info

ID:	373043
PubChem CID:	131309006
Reduced:	ClO2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	281.97524
ΔH_f, kcal/mol:	-81.61
Dipole, Da:	2.48
IP(EA), eV:	-9.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-bromopyrimidin-2-yl)pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCOC1C(=O)/C=C/Cl

DOS

IR

Vibrations