Geometry & MOs

Info

ID:	399003
PubChem CID:	135036923
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	234.144222
ΔH_f, kcal/mol:	-73.0
Dipole, Da:	2.06
IP(EA), eV:	-8.41(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)C(C)(C)N2C=CC3=CC=CC=C32)C

DOS

IR

Vibrations