Geometry & MOs

Info

ID:	304126
PubChem CID:	124496153
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	417.262757
ΔH_f, kcal/mol:	-117.54
Dipole, Da:	3.96
IP(EA), eV:	-9.31(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)N(C1=NC=C(C=C1)[C@@H]2CCCCN2C(=O)C3=CC=CC=C3)C(=O)OC(C)(C)C

DOS

IR

Vibrations