Geometry & MOs

Info

ID:	172857
PubChem CID:	75560972
Reduced:	N3O5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	551.314792
ΔH_f, kcal/mol:	-156.55
Dipole, Da:	10.35
IP(EA), eV:	-8.34(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-adamantyl)phenyl]-5-[(1,2,2,4,7-pentamethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)C)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)C)(C)C

DOS

IR

Vibrations