Geometry & MOs

Info

ID:	51558
PubChem CID:	12014250
Reduced:	N3O6H13C18 (1)
Stoich.:	A3B6C13D18 (1)
Weight, g/mol:	387.044245
ΔH_f, kcal/mol:	-148.91
Dipole, Da:	9.38
IP(EA), eV:	-9.54(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-13,16-bis(trifluoromethyl)-3-oxa-11,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),5,8,12(17),13,15-heptaen-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC3=C2C4=C(N3)C(=NN=C4C(=O)OC)C(=O)OC

DOS

IR

Vibrations