Geometry & MOs

Info

ID:	249611
PubChem CID:	103090830
Reduced:	ON2C10H14 (1)
Stoich.:	AB2C10D14 (1)
Weight, g/mol:	204.11503
ΔH_f, kcal/mol:	-5.63
Dipole, Da:	2.79
IP(EA), eV:	-8.91(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-methyl-4-[5-(2-methylcyclopropyl)furan-2-yl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C=C(C)C(=O)C

DOS

IR

Vibrations