Geometry & MOs

Info

ID:	399608
PubChem CID:	135041239
Reduced:	N3C11H21 (1)
Stoich.:	A3B11C21 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	4.58
Dipole, Da:	3.46
IP(EA), eV:	-7.67(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-6-[(2S,3S,5S)-3-methyl-5-prop-2-enyloxolan-2-yl]hexanoic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=NC(C)C)N1C(C)C)C

DOS

IR

Vibrations