Geometry & MOs

Info

ID:	392347
PubChem CID:	135014617
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	447.334859
ΔH_f, kcal/mol:	-1.92
Dipole, Da:	1.72
IP(EA), eV:	-9.55(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R,7R,10S)-14,17,17-trimethyl-7-undecyl-4,8,12-trioxa-3-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadecan-9-one

Drug info:

PubChemData

Smile

CC1=NC2[C@@H](O1)C3CCC2(C3(C)C)C

DOS

IR

Vibrations