Geometry & MOs

Info

ID:	266754
PubChem CID:	103579299
Reduced:	NO2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	217.077265
ΔH_f, kcal/mol:	-74.12
Dipole, Da:	2.77
IP(EA), eV:	-9.75(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfonyl-N-pent-1-yn-3-ylpropanamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CCC1CCCO1

DOS

IR

Vibrations