Geometry & MOs

Info

ID:	243801
PubChem CID:	99239703
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	408.216141
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	7.59
IP(EA), eV:	-10.08(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[(1,3-dimethyl-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=C3C(=NOC3=NC(=C2)C)C

DOS

IR

Vibrations