Geometry & MOs

Info

ID:	150062
PubChem CID:	53789747
Reduced:	OC31H48 (1)
Stoich.:	AB31C48 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-74.48
Dipole, Da:	2.1
IP(EA), eV:	-9.08(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-cyclohexyl-2-[4-[4-(dimethylamino)but-2-ynyl]phenyl]-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CCCCCC12CCC(CC1)(CC2)C3=CC=C(C=C3)C4CCC(CC4)OCCCCC=C

DOS

IR

Vibrations