Geometry & MOs

Info

ID:	413459
PubChem CID:	135086408
Reduced:	NC9H12 (1)
Stoich.:	AB9C12 (1)
Weight, g/mol:	304.07693
ΔH_f, kcal/mol:	22.66
Dipole, Da:	1.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.018832
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-2-(4-methylphenyl)sulfonylacetaldehyde

Drug info:

PubChemData

Smile

CCC(=[NH2+])C1=CC=CC=C1

DOS

IR

Vibrations