Geometry & MOs

Info

ID:	216545
PubChem CID:	85086397
Reduced:	NO3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	279.102606
ΔH_f, kcal/mol:	-152.8
Dipole, Da:	1.66
IP(EA), eV:	-8.78(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3-methoxyphenyl)-4-methoxy-3-methylhex-5-enenitrile

Drug info:

PubChemData

Smile

C1CC2C(=O)CC3C24CCCN(C1)C4CC(C3O)CO

DOS

IR

Vibrations