Geometry & MOs

Info

ID:	169550
PubChem CID:	75119113
Reduced:	N5O5H27C29 (1)
Stoich.:	A5B5C27D29 (1)
Weight, g/mol:	571.243084
ΔH_f, kcal/mol:	-59.16
Dipole, Da:	9.39
IP(EA), eV:	-8.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-phenyl-7-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazine-1-carbonyl]pyrazolo[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=CC6=C(C=C5)OCO6

DOS

IR

Vibrations