Geometry & MOs

Info

ID:	150339
PubChem CID:	53790027
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	123.94827
ΔH_f, kcal/mol:	18.49
Dipole, Da:	3.96
IP(EA), eV:	-9.48(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dichloroprop-2-yn-1-ol

Drug info:

PubChemData

Smile

C1C2=C(C=CC=C2N3C(=CN=N3)C=N1)NC(=O)CCO

DOS

IR

Vibrations