Geometry & MOs

Info

ID:	218595
PubChem CID:	85089662
Reduced:	O7C27H46 (1)
Stoich.:	A7B27C46 (1)
Weight, g/mol:	482.314458
ΔH_f, kcal/mol:	-362.52
Dipole, Da:	1.73
IP(EA), eV:	-8.48(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-methoxy-6-pentadeca-8,11-dienylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=C(C(=C(C(=C1)C)OC2C(C(C(C(O2)CO)O)O)O)C)C

DOS

IR

Vibrations