Geometry & MOs

Info

ID:	364729
PubChem CID:	127316035
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	395.243359
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	4.23
IP(EA), eV:	-9.35(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridin-4-yl]-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations