Geometry & MOs

Info

ID:	127829
PubChem CID:	51018769
Reduced:	NO6H13C15 (1)
Stoich.:	AB6C13D15 (1)
Weight, g/mol:	229.095023
ΔH_f, kcal/mol:	-190.64
Dipole, Da:	4.82
IP(EA), eV:	-9.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5S,9S,10S,11S)-8-methyl-3,7,13,14-tetraoxa-8-azatetracyclo[9.2.1.02,9.05,9]tetradecan-10-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2[C@H]3C=C[C@H](C2C(=O)O)O3)C(=O)O

DOS

IR

Vibrations