Geometry & MOs

Info

ID:	411589
PubChem CID:	135084421
Reduced:	BrFOC11H12 (1)
Stoich.:	ABCD11E12 (1)
Weight, g/mol:	203.069477
ΔH_f, kcal/mol:	-68.15
Dipole, Da:	1.07
IP(EA), eV:	-10.02(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-pyrimidin-2-ylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C1=CC=CC=C1)(F)Br

DOS

IR

Vibrations