Geometry & MOs

Info

ID:	337115
PubChem CID:	127256680
Reduced:	ON2H6C9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	123.032028
ΔH_f, kcal/mol:	86.97
Dipole, Da:	2.48
IP(EA), eV:	-10.48(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(5-oxopyrrol-2-ylidene)acetaldehyde

Drug info:

PubChemData

Smile

C1=C/C(=C\C2=NC(=O)C=C2)/N=C1

DOS

IR

Vibrations