Geometry & MOs

Info

ID:	184577
PubChem CID:	77178648
Reduced:	PO6N8C9H17 (1)
Stoich.:	AB6C8D9E17 (1)
Weight, g/mol:	322.19328
ΔH_f, kcal/mol:	-130.9
Dipole, Da:	12.89
IP(EA), eV:	-8.62(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-propan-2-ylidene-4-(2,4,6-trimethylphenyl)tricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

C1CNC(=O)NC1N.C1=NC2C(=N1)C(=O)NC(=N2)N.OP(=O)(O)O

DOS

IR

Vibrations