Geometry & MOs

Info

ID:	141924
PubChem CID:	52952993
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	514.258006
ΔH_f, kcal/mol:	-72.69
Dipole, Da:	4.99
IP(EA), eV:	-9.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,13-bis[4-(dimethylamino)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadecane-5,7,12,14-tetrone

Drug info:

PubChemData

Smile

C1CC(=O)N([C@@H]1CN2C=CN=C2)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations