Geometry & MOs

Info

ID:	121141
PubChem CID:	50756995
Reduced:	BrO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	458.09535
ΔH_f, kcal/mol:	-38.43
Dipole, Da:	3.62
IP(EA), eV:	-8.6(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)CCCN1C2=C(C=CC(=C2)Br)N3C=CC=C3C1=O

DOS

IR

Vibrations