Geometry & MOs

Info

ID:	59554
PubChem CID:	24875292
Reduced:	FO2N10H21C24 (1)
Stoich.:	AB2C10D21E24 (1)
Weight, g/mol:	501.178547
ΔH_f, kcal/mol:	97.38
Dipole, Da:	11.56
IP(EA), eV:	-9.28(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[7-(5-aminopyrazol-1-yl)-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C5=NN=NN5C6=CC=CC=C6)F

DOS

IR

Vibrations