Geometry & MOs

Info

ID:	197740
PubChem CID:	78990669
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	0.44
Dipole, Da:	5.52
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenyl)-N-propyl-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC(CCNC1=C(C(=O)NN=C1)Cl)C2=CC=CC=C2

DOS

IR

Vibrations