Geometry & MOs

Info

ID:	391095
PubChem CID:	135002772
Reduced:	BrNOF7H11C21 (1)
Stoich.:	ABCD7E11F21 (1)
Weight, g/mol:	329.141579
ΔH_f, kcal/mol:	-308.91
Dipole, Da:	7.73
IP(EA), eV:	-9.73(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 9-methyl-18-azapentacyclo[14.2.1.04,18.06,11.012,17]nonadeca-1,3,6(11),7,9,12,14,16-octaene-14-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC=C(C=C2)Br)C(=O)NC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F

DOS

IR

Vibrations