Geometry & MOs

Info

ID:	305131
PubChem CID:	124766563
Reduced:	NO6C19H25 (1)
Stoich.:	AB6C19D25 (1)
Weight, g/mol:	363.168188
ΔH_f, kcal/mol:	-237.97
Dipole, Da:	3.83
IP(EA), eV:	-9.57(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,6S,8S,9R)-N-benzyl-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O1)[C@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NCC4=CC=CC=C4)C

DOS

IR

Vibrations