Geometry & MOs

Info

ID:	22814
PubChem CID:	598781
Reduced:	NOH9C11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	171.068414
ΔH_f, kcal/mol:	26.99
Dipole, Da:	2.59
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrol-1-ylbenzaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations