Geometry & MOs

Info

ID:	5809
PubChem CID:	13854
Reduced:	NOC5H5 (1)
Stoich.:	ABC5D5 (1)
Weight, g/mol:	95.037114
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	4.72
IP(EA), eV:	-9.46(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-pyrrole-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CNC(=C1)C=O

DOS

IR

Vibrations