Geometry & MOs

Info

ID:	1521
PubChem CID:	4634
Reduced:	NO3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	357.230394
ΔH_f, kcal/mol:	-82.15
Dipole, Da:	2.59
IP(EA), eV:	-8.69(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

Drug info:

PubChemData

Smile

CCN(CC)CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O

DOS

IR

Vibrations