Geometry & MOs

Info

ID:	28919
PubChem CID:	830649
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	301.157898
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	9.57
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7,10-trimethyl-4-(4-methylphenyl)-2,4,8-triazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9,11-hexaene

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C=O)N3CCOCC3

DOS

IR

Vibrations