Geometry & MOs

Info

ID:	28526
PubChem CID:	828109
Reduced:	ClN2O2H7C13 (1)
Stoich.:	AB2C2D7E13 (1)
Weight, g/mol:	326.105528
ΔH_f, kcal/mol:	-7.45
Dipole, Da:	2.58
IP(EA), eV:	-9.47(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(3-methylanilino)-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-8-one

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)Cl

DOS

IR

Vibrations