Geometry & MOs

Info

ID:	411340
PubChem CID:	135084163
Reduced:	OC6H10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	141.159681
ΔH_f, kcal/mol:	-87.12
Dipole, Da:	3.87
IP(EA), eV:	-9.44(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2E)-1-butyl-1-methyl-2-(2,2,2-trideuterioethylidene)cyclopropane

Drug info:

PubChemData

Smile

CC(C)C(CCC=C(C)C)(C=O)C=O

DOS

IR

Vibrations