Geometry & MOs

Info

ID:	157657
PubChem CID:	56436340
Reduced:	N3O4C18H33 (1)
Stoich.:	A3B4C18D33 (1)
Weight, g/mol:	418.258006
ΔH_f, kcal/mol:	-223.24
Dipole, Da:	4.11
IP(EA), eV:	-8.97(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-(3-methoxy-1,4,6-trimethylpyrazolo[3,4-b]pyridin-5-yl)propanoyl-methylamino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)C1CCN(CC1)C(=O)N(C)C

DOS

IR

Vibrations