Geometry & MOs

Info

ID:	196541
PubChem CID:	78846324
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-132.37
Dipole, Da:	4.99
IP(EA), eV:	-9.48(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-methylpropyl)morpholin-2-yl]methyl 1,3-dimethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC(CC(=O)OCCCC(=O)C)C1=CC=CC=C1

DOS

IR

Vibrations