Geometry & MOs

Info

ID:	16482
PubChem CID:	470673
Reduced:	ClO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	19.42
Dipole, Da:	6.21
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-13-yl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=N2)Cl)N(C(=O)C3=C1N=CC(=C3)N(C)C(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations