Geometry & MOs

Info

ID:	395723
PubChem CID:	135026351
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	478.22162
ΔH_f, kcal/mol:	-110.75
Dipole, Da:	2.37
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5S,7S)-5-(4-methoxyphenyl)-7-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=N1)N[C@@H](C[C@@H]2NC(=O)OCC3=CC=CC=C3)C4CC4

DOS

IR

Vibrations