Geometry & MOs

Info

ID:	26020
PubChem CID:	636386
Reduced:	ON3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	4.63
IP(EA), eV:	-9.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl)-2-benzyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(CCCC2=CN=CC=C2)C(=O)[C@H](C)N

DOS

IR

Vibrations