Geometry & MOs

Info

ID:	280112
PubChem CID:	103846947
Reduced:	ClOH7C9 (1)
Stoich.:	ABC7D9 (1)
Weight, g/mol:	173.084064
ΔH_f, kcal/mol:	2.14
Dipole, Da:	4.22
IP(EA), eV:	-9.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dihydropyrrol-1-yl)benzaldehyde

Drug info:

PubChemData

Smile

C=CC1=C(C=C(C=C1)Cl)C=O

DOS

IR

Vibrations