Geometry & MOs

Info

ID:	223556
PubChem CID:	85335226
Reduced:	ClN3O5C20H28 (1)
Stoich.:	AB3C5D20E28 (1)
Weight, g/mol:	430.172894
ΔH_f, kcal/mol:	-197.43
Dipole, Da:	3.99
IP(EA), eV:	-9.28(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(6,7-difluoroquinoxalin-2-yl)amino]ethyl]-4-(4-fluorophenyl)-N-methylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C(C1=CC=C(C=C1)Cl)C(=O)N2CCCC2C(=O)NCC(C)O)C(=O)NO

DOS

IR

Vibrations