Geometry & MOs

Info

ID:	169548
PubChem CID:	75118619
Reduced:	BrO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	541.232519
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	5.45
IP(EA), eV:	-9.84(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2CCCCC2N(C1=O)CC3=NC(=NO3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations