Geometry & MOs

Info

ID:	131557
PubChem CID:	51226873
Reduced:	ClOSN3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	37.13
Dipole, Da:	4.05
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(1-phenylethyl)amino]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

C=CCN(CC1=CC=CS1)CC(=O)NC2=NC=C(C=C2)Cl

DOS

IR

Vibrations