Geometry & MOs

Info

ID:	122299
PubChem CID:	50801573
Reduced:	ON6C26H28 (1)
Stoich.:	AB6C26D28 (1)
Weight, g/mol:	379.119988
ΔH_f, kcal/mol:	91.15
Dipole, Da:	4.65
IP(EA), eV:	-8.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(4-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-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)C2=NN3C(=C4CCCC4=NC3=N2)N5CCN(CC5)C6=CC=CC=C6OC

DOS

IR

Vibrations