Geometry & MOs

Info

ID:	122403
PubChem CID:	50805053
Reduced:	BrO2N5C22H28 (1)
Stoich.:	AB2C5D22E28 (1)
Weight, g/mol:	425.146345
ΔH_f, kcal/mol:	-24.26
Dipole, Da:	1.76
IP(EA), eV:	-8.49(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-difluorophenyl)-4-(7-fluoropyrrolo[1,2-a]quinoxalin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)N1CCCN(CC1)C2=NC3=C(C=CC(=C3)Br)N4C2=CC=C4

DOS

IR

Vibrations