Geometry & MOs

Info

ID:	395371
PubChem CID:	135025301
Reduced:	O3N4H26C31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	335.224915
ΔH_f, kcal/mol:	71.53
Dipole, Da:	6.91
IP(EA), eV:	-9.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1E,3Z)-1,4-dicyclopentyl-2,3-dimethylbuta-1,3-dienoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=C([C@](N2C(=O)N(C(=O)N2[C@H]1C3C=CC=C3)C4=CC=CC=C4)(C5C=CC=C5)OC6=CC=C(C=C6)C#N)C

DOS

IR

Vibrations