Geometry & MOs

Info

ID:	217406
PubChem CID:	85087769
Reduced:	OC8H8 (3)
Stoich.:	AB8C8 (3)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	3.25
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyanomethyl)-2-[(4-ethynylphenyl)-phenylmethoxy]-4-methylpentanamide

Drug info:

PubChemData

Smile

CCOC(=O)CCCOC1=CC=CC(=C1)C=CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations