Geometry & MOs

Info

ID:	406065
PubChem CID:	135076443
Reduced:	CrNOC19H19 (1)
Stoich.:	ABCD19E19 (1)
Weight, g/mol:	273.08235
ΔH_f, kcal/mol:	202.55
Dipole, Da:	2.04
IP(EA), eV:	-6.93(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-2-(2-methylphenyl)prop-1-enyl]sulfonylpyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C2=CC=CC=C2C#CC(=[Cr])OC

DOS

IR

Vibrations