Geometry & MOs

Info

ID:	160361
PubChem CID:	57309709
Reduced:	O2N3C15H15 (1)
Stoich.:	A2B3C15D15 (1)
Weight, g/mol:	447.288577
ΔH_f, kcal/mol:	7.48
Dipole, Da:	2.54
IP(EA), eV:	-8.32(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CN=C(N)NC1=C(C=CC2=C1C3=CC=CC=C3O2)OC

DOS

IR

Vibrations