Geometry & MOs

Info

ID:	141007
PubChem CID:	52799288
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	455.253255
ΔH_f, kcal/mol:	-181.14
Dipole, Da:	1.09
IP(EA), eV:	-9.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(3R)-1-(1-benzylpyrazole-4-carbonyl)piperidine-3-carbonyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCC[C@H]3CC4CCCCC4

DOS

IR

Vibrations