Geometry & MOs

Info

ID:	398795
PubChem CID:	135035456
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	168.034193
ΔH_f, kcal/mol:	-94.02
Dipole, Da:	6.77
IP(EA), eV:	-8.4(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-3-(2-methoxyethenyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)SC2=CNC3=C2C=CC=C3OC

DOS

IR

Vibrations