Geometry & MOs

Info

ID:	304127
PubChem CID:	124496320
Reduced:	N3O4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	-182.05
Dipole, Da:	3.25
IP(EA), eV:	-8.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[6-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC[C@H]1C2=CN=C(C=C2)N(C3CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations