Geometry & MOs

Info

ID:	364726
PubChem CID:	127316032
Reduced:	FON5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	353.196408
ΔH_f, kcal/mol:	-13.66
Dipole, Da:	5.3
IP(EA), eV:	-9.24(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations