Geometry & MOs

Info

ID:	217433
PubChem CID:	85087810
Reduced:	N3O8H13C15 (1)
Stoich.:	A3B8C13D15 (1)
Weight, g/mol:	363.159945
ΔH_f, kcal/mol:	-176.54
Dipole, Da:	6.84
IP(EA), eV:	-10.28(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1,10,10-trimethyl-4-oxo-5-phenyl-3-oxa-5-aza-4lambda5-phosphatricyclo[5.2.1.02,6]decan-4-yl)acetate

Drug info:

PubChemData

Smile

COC(=O)C(=C(C1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)OC)C(=O)OC)C#N

DOS

IR

Vibrations