Geometry & MOs

Info

ID:	395029
PubChem CID:	135024466
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-101.57
Dipole, Da:	5.38
IP(EA), eV:	-8.6(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4S,9S,14S)-13-hydroxy-6-methyl-17-oxa-13-azatetracyclo[12.2.1.01,9.04,9]heptadecane-2,8-dione

Drug info:

PubChemData

Smile

CC1C[C@H]2CC(=O)[C@@]34[C@@]2(CCCN(C3)CCC4)C(=O)C1

DOS

IR

Vibrations