Geometry & MOs

Info

ID:	122402
PubChem CID:	50805039
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	473.14264
ΔH_f, kcal/mol:	17.75
Dipole, Da:	4.5
IP(EA), eV:	-8.5(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-bromopyrrolo[1,2-a]quinoxalin-4-yl)-N-(3-ethoxypropyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)N2CCN(CC2)C3=NC4=CC=CC=C4N5C3=CC=C5

DOS

IR

Vibrations