Geometry & MOs

Info

ID:	413172
PubChem CID:	135086117
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	149.084064
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	3.08
IP(EA), eV:	-9.92(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-1-pyrrol-1-ylbutan-1-one

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C[C@@H](C2(C)C)CC1OCC=O

DOS

IR

Vibrations