Geometry & MOs

Info

ID:	80442
PubChem CID:	49834470
Reduced:	IN3O4C31H38 (1)
Stoich.:	AB3C4D31E38 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-100.18
Dipole, Da:	3.02
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[4-[(1R)-3-oxocyclopentyl]benzoyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C[O-])NC(=O)CCC2=CC(=C(C=C2)NC(=O)OC3CC[N+](CC3)(C)C)C4=CC=CC=C4.I

DOS

IR

Vibrations