Geometry & MOs

Info

ID:	142183
PubChem CID:	52997680
Reduced:	ClNOC27H36 (1)
Stoich.:	ABCD27E36 (1)
Weight, g/mol:	357.185942
ΔH_f, kcal/mol:	-13.44
Dipole, Da:	4.21
IP(EA), eV:	-9.01(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dipropylamino)-1,1-diphenylbut-2-yn-1-ol;hydrochloride

Drug info:

PubChemData

Smile

CCC1(CCCC1)C(C#CCN(CC2=CC=CC=C2)C(C)C)(C3=CC=CC=C3)O.Cl

DOS

IR

Vibrations