Geometry & MOs

Info

ID:	121140
PubChem CID:	50756991
Reduced:	FO2N4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	418.10044
ΔH_f, kcal/mol:	-69.99
Dipole, Da:	5.55
IP(EA), eV:	-8.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-[2-(dimethylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)C(=O)CCCN3C4=C(C=CC(=C4)F)N5C=CC=C5C3=O

DOS

IR

Vibrations