Geometry & MOs

Info

ID:	164590
PubChem CID:	74422308
Reduced:	O3H18C20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	-53.66
Dipole, Da:	3.16
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-[2-(1H-indazol-3-yl)ethenyl]pyridine-2-carbonyl]piperazin-1-yl]-2-methoxyethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O

DOS

IR

Vibrations