Geometry & MOs

Info

ID:	440286
PubChem CID:	135230233
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	258.144222
ΔH_f, kcal/mol:	-156.91
Dipole, Da:	4.33
IP(EA), eV:	-9.57(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethyl-3-[(1Z,3E,5Z)-3-methyl-1-methylsulfanylhepta-1,3,5-trien-4-yl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N1CCCC1C(=O)N)NC=O

DOS

IR

Vibrations