Geometry & MOs

Info

ID:	370609
PubChem CID:	127339755
Reduced:	O3N5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	380.23246
ΔH_f, kcal/mol:	-42.47
Dipole, Da:	3.74
IP(EA), eV:	-9.18(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[1-(2-methylpropyl)pyrazolo[3,4-b]pyridin-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)C)C(=O)N3CCC(CC3)C4=CN(N=C4)C

DOS

IR

Vibrations