Geometry & MOs

Info

ID:	224665
PubChem CID:	85345800
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	325.240565
ΔH_f, kcal/mol:	-103.8
Dipole, Da:	4.74
IP(EA), eV:	-9.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-3-propan-2-ylphenyl)-5,9-dimethyldeca-4,8-dienenitrile

Drug info:

PubChemData

Smile

CC(COC(=O)C(CC1=CC=CC=C1)NC(=O)C)C2=CC=CC=C2

DOS

IR

Vibrations