Geometry & MOs

Info

ID:	381924
PubChem CID:	134972788
Reduced:	ClNO2C7H12 (1)
Stoich.:	ABC2D7E12 (1)
Weight, g/mol:	412.334131
ΔH_f, kcal/mol:	-70.81
Dipole, Da:	2.11
IP(EA), eV:	-9.28(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,13R,16S)-5',7,9,13,16-pentamethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]

Drug info:

PubChemData

Smile

CC1(C(O1)N2CCOCC2)Cl

DOS

IR

Vibrations