Geometry & MOs

Info

ID:	26407
PubChem CID:	646776
Reduced:	ClN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	373.069015
ΔH_f, kcal/mol:	-78.26
Dipole, Da:	3.44
IP(EA), eV:	-9.46(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[8-(4-chloroanilino)-4-oxa-1,3,5,7,10,11-hexazatricyclo[7.3.0.02,6]dodeca-2,5,7,9,11-pentaen-12-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)Cl

DOS

IR

Vibrations