Geometry & MOs

Info

ID:	122404
PubChem CID:	50805157
Reduced:	OF3N5H18C22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	4.83
IP(EA), eV:	-8.83(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carbonyl)amino]propanoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC3=C(C=CC(=C3)F)N4C2=CC=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations