Geometry & MOs

Info

ID:	48186
PubChem CID:	10537773
Reduced:	ON2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	24.3
Dipole, Da:	3.02
IP(EA), eV:	-9.17(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-5-methyl-4-[(3-methylfuran-2-yl)methyl]hex-5-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC(=O)N3C=CC=CC3=N2

DOS

IR

Vibrations