Geometry & MOs

Info

ID:	122303
PubChem CID:	50801579
Reduced:	N5C25H27 (1)
Stoich.:	A5B25C27 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	91.02
Dipole, Da:	6.03
IP(EA), eV:	-8.78(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-11-[(4-methylphenyl)methyl]-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NN3C(=C4CCCCC4=NC3=N2)NC5=C(C=C(C=C5)C)C

DOS

IR

Vibrations