Geometry & MOs

Info

ID:	358801
PubChem CID:	127296669
Reduced:	OCl2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	23.2
Dipole, Da:	7.34
IP(EA), eV:	-9.32(-1.18)
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)-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NN1C2=C(C=CC=C2Cl)Cl)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations