Geometry & MOs

Info

ID:	430352
PubChem CID:	135170416
Reduced:	N2O4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	-197.79
Dipole, Da:	4.21
IP(EA), eV:	-10.15(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,6R,7S)-4-(2-methoxy-4-prop-1-ynylphenyl)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

CC1(CC(CC(C1)(C)COC#N)NC(=O)OC(C)(C)CCO)C

DOS

IR

Vibrations