Geometry & MOs

Info

ID:	328945
PubChem CID:	126729459
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	374.354866
ΔH_f, kcal/mol:	-8.25
Dipole, Da:	1.58
IP(EA), eV:	-8.22(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12R,15S,20R)-9,10-dimethyl-5-pentyl-2-oxatetracyclo[10.8.0.04,6.015,20]icosane

Drug info:

PubChemData

Smile

CCC(C)/C=C/C1=C(C=C(C=C1N)C)C

DOS

IR

Vibrations