Geometry & MOs

Info

ID:	319988
PubChem CID:	126657741
Reduced:	OC15H26 (1)
Stoich.:	AB15C26 (1)
Weight, g/mol:	522.205576
ΔH_f, kcal/mol:	-79.02
Dipole, Da:	2.65
IP(EA), eV:	-8.97(1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3,5-bis(cyanomethyl)-4-phenylmethoxyphenyl]-3-(cyanomethyl)-2-phenylmethoxyphenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=CCC(CC1)([C@@H](C)CCC=C(C)C)O

DOS

IR

Vibrations