Geometry & MOs

Info

ID:	77377
PubChem CID:	48427248
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	332.152478
ΔH_f, kcal/mol:	-11.07
Dipole, Da:	7.68
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyanomethyl)phenoxy]-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)CN2C(=C(SC2=O)C)C

DOS

IR

Vibrations