Geometry & MOs

Info

ID:	263135
PubChem CID:	103341569
Reduced:	N3C10H11 (1)
Stoich.:	A3B10C11 (1)
Weight, g/mol:	185.084064
ΔH_f, kcal/mol:	44.15
Dipole, Da:	3.41
IP(EA), eV:	-8.6(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(1H-pyrrol-2-yl)benzaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)N)C2=CC=CN2

DOS

IR

Vibrations