Geometry & MOs

Info

ID:	143463
PubChem CID:	53212636
Reduced:	N3O3C11H13 (1)
Stoich.:	A3B3C11D13 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-78.51
Dipole, Da:	8.02
IP(EA), eV:	-9.34(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrolo[1,2-a]quinoxalin-4-yl-1,4-diazepane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NN(C(=O)C2=CC=CN21)C(C)C(=O)O

DOS

IR

Vibrations