Geometry & MOs

Info

ID:	430226
PubChem CID:	135170290
Reduced:	NH37C41 (1)
Stoich.:	AB37C41 (1)
Weight, g/mol:	338.151809
ΔH_f, kcal/mol:	157.11
Dipole, Da:	1.08
IP(EA), eV:	-7.84(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-8-ethyl-4-(2-methoxy-4-prop-1-ynylphenyl)-10-oxatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=C(C=C4)C)/C(=C/C=C\C=C)/C5=CC=C(C=C5)C=C

DOS

IR

Vibrations