Geometry & MOs

Info

ID:	411413
PubChem CID:	135084236
Reduced:	ClN2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	196.182715
ΔH_f, kcal/mol:	46.84
Dipole, Da:	5.0
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R)-1-butyl-2-(methoxymethyl)-1-methyl-3-prop-2-enylcyclopropane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=NC2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations