Geometry & MOs

Info

ID:	15476
PubChem CID:	442468
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	275.152144
ΔH_f, kcal/mol:	-51.18
Dipole, Da:	5.57
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,10S,11R,13R)-10-hydroxy-16-methyl-14-oxa-6-azapentacyclo[8.7.0.01,6.02,13.011,16]heptadec-8-en-15-one

Drug info:

PubChemData

Smile

CC12C[C@@]34[C@@H]5CCCN3CC=C[C@@]4([C@@H]1C[C@H]5OC2=O)O

DOS

IR

Vibrations