Geometry & MOs

Info

ID:	233492
PubChem CID:	90944862
Reduced:	NC4H7 (3)
Stoich.:	AB4C7 (3)
Weight, g/mol:	494.205301
ΔH_f, kcal/mol:	6.48
Dipole, Da:	0.48
IP(EA), eV:	-8.31(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-5-[1-(4-methoxy-3-methoxycarbonyl-5-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)but-2-enyl]-3-methylbenzoate

Drug info:

PubChemData

Smile

CCCCCN(CC)C1=NC=C(C=N1)C

DOS

IR

Vibrations