Geometry & MOs

Info

ID:	122293
PubChem CID:	50801448
Reduced:	N3O3C25H25 (1)
Stoich.:	A3B3C25D25 (1)
Weight, g/mol:	433.09021
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	3.12
IP(EA), eV:	-8.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-11-(4-methylphenyl)-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)NCC(C2=CC=CC=C2)C3=CNC4=CC=CC=C43)OC

DOS

IR

Vibrations