Geometry & MOs

Info

ID:	315606
PubChem CID:	126628097
Reduced:	ON7C9H11 (1)
Stoich.:	AB7C9D11 (1)
Weight, g/mol:	220.065493
ΔH_f, kcal/mol:	46.42
Dipole, Da:	6.35
IP(EA), eV:	-8.53(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-4-cyclopropylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NC2=CC(=NN=C2C(=O)N)N

DOS

IR

Vibrations