Geometry & MOs

Info

ID:	304129
PubChem CID:	124496342
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	403.247107
ΔH_f, kcal/mol:	-113.18
Dipole, Da:	4.07
IP(EA), eV:	-9.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C2=C(N=CC=C2)N(C3CC3)C(=O)OC(C)(C)C

DOS

IR

Vibrations