Geometry & MOs

Info

ID:	52704
PubChem CID:	12015728
Reduced:	BrClON4H12C13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	318.01162
ΔH_f, kcal/mol:	21.8
Dipole, Da:	2.47
IP(EA), eV:	-8.55(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-bromo-2-ethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CCNC1=C(C=CC=N1)NC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations