Geometry & MOs

Info

ID:	50499
PubChem CID:	12013041
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	7.91
Dipole, Da:	6.97
IP(EA), eV:	-8.15(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[(E)-2-(1-methyl-5-methylsulfonylpyrrol-2-yl)ethenyl]aniline

Drug info:

PubChemData

Smile

CN1C(=CC=C1S(=O)(=O)C2=CC=CC=C2)/C=C/C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations