Geometry & MOs

Info

ID:	146234
PubChem CID:	53656268
Reduced:	N3O4C15H29 (1)
Stoich.:	A3B4C15D29 (1)
Weight, g/mol:	502.22162
ΔH_f, kcal/mol:	-176.71
Dipole, Da:	3.12
IP(EA), eV:	-8.9(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl 3-cyclopentyl-1,6-dimethyl-4-(3-nitrophenyl)-4,5-dihydropyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1CCNCC1)C(=O)N(C)OC

DOS

IR

Vibrations