Geometry & MOs

Info

ID:	151675
PubChem CID:	56261085
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	-45.15
Dipole, Da:	4.73
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenoxy)-3-methyl-N-[2-(4-prop-2-ynoxyphenyl)ethyl]butanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)/C=C/C(=O)NCCC2=CC=C(C=C2)OCC#C

DOS

IR

Vibrations