Geometry & MOs

Info

ID:	122267
PubChem CID:	50800532
Reduced:	O3N4C20H20 (1)
Stoich.:	A3B4C20D20 (1)
Weight, g/mol:	331.14331
ΔH_f, kcal/mol:	-60.73
Dipole, Da:	6.39
IP(EA), eV:	-8.41(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-11-(furan-2-yl)-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)CN2C=NC3=C(C2=O)C=C4CCCCC4=N3

DOS

IR

Vibrations