Geometry & MOs

Info

ID:	169549
PubChem CID:	75119112
Reduced:	N5O5C30H31 (1)
Stoich.:	A5B5C30D31 (1)
Weight, g/mol:	525.201219
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	8.59
IP(EA), eV:	-8.24(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazine-1-carbonyl]-5-ethyl-2-phenylpyrazolo[4,3-c]pyridin-3-one

Drug info:

PubChemData

Smile

CCN1C=C2C(=NN(C2=O)C3=CC=CC=C3)C(=C1)C(=O)N4CCN(CC4)C(=O)C=CC5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations