Geometry & MOs

Info

ID:	79850
PubChem CID:	49830822
Reduced:	N2O2H14C19 (1)
Stoich.:	A2B2C14D19 (1)
Weight, g/mol:	391.068346
ΔH_f, kcal/mol:	7.04
Dipole, Da:	3.52
IP(EA), eV:	-8.84(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-13,14-dihydroxy-3-oxo-11,16-dioxa-2,4,19,21-tetrazatricyclo[15.3.1.05,10]henicosa-1(20),5(10),6,8,17(21),18-hexaene-18-carbonitrile

Drug info:

PubChemData

Smile

C1=CNC(=C1)C=C2C3=C(C=C(C=C3)C4=CC=C(C=C4)O)NC2=O

DOS

IR

Vibrations