Geometry & MOs

Info

ID:	411275
PubChem CID:	135084088
Reduced:	O2C11H18 (1)
Stoich.:	A2B11C18 (1)
Weight, g/mol:	187.074562
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	4.82
IP(EA), eV:	-9.97(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-pyrimidin-2-ylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)/C=C\CCC(=O)O

DOS

IR

Vibrations