Geometry & MOs

Info

ID:	266653
PubChem CID:	103577849
Reduced:	ClFNC13H15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	192.126263
ΔH_f, kcal/mol:	6.66
Dipole, Da:	3.11
IP(EA), eV:	-9.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pent-1-yn-3-ylamino)-N-prop-2-ynylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations