Geometry & MOs

Info

ID:	352529
PubChem CID:	127283617
Reduced:	O2N3C17H19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	-45.0
Dipole, Da:	1.95
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=O)N(C=N2)CC(=O)N3CCC(=C)CC3

DOS

IR

Vibrations