Geometry & MOs

Info

ID:	420758
PubChem CID:	135114772
Reduced:	ClN3O4C20H26 (1)
Stoich.:	AB3C4D20E26 (1)
Weight, g/mol:	379.178358
ΔH_f, kcal/mol:	-116.36
Dipole, Da:	4.42
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-1-(2,3-dihydro-1H-indene-2-carbonyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(CCCN(C1)C(=O)C2=C(ON=C2NCCOC)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations