Geometry & MOs

Info

ID:	22813
PubChem CID:	598780
Reduced:	NOH9C11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	171.068414
ΔH_f, kcal/mol:	19.09
Dipole, Da:	6.14
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-1H-pyrrole-3-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=CN2)C=O

DOS

IR

Vibrations