Geometry & MOs

Info

ID:	266701
PubChem CID:	103579131
Reduced:	ClNOF2H10C12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-73.45
Dipole, Da:	3.45
IP(EA), eV:	-10.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-4-propan-2-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC(=C(C=C1F)Cl)F

DOS

IR

Vibrations