Geometry & MOs

Info

ID:	363085
PubChem CID:	127310116
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	5.21
IP(EA), eV:	-8.78(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridin-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC4=C(N3)C=C(C=C4)C(C)(C)C

DOS

IR

Vibrations