Geometry & MOs

Info

ID:	400112
PubChem CID:	135045576
Reduced:	O2C7H7 (2)
Stoich.:	A2B7C7 (2)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	4.21
IP(EA), eV:	-9.79(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-pyrimidin-5-ylpyrrole-1-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)CC1=CC(=O)C(=C(C1=O)O)C

DOS

IR

Vibrations