Geometry & MOs

Info

ID:	216975
PubChem CID:	85087060
Reduced:	NO7C15H15 (1)
Stoich.:	AB7C15D15 (1)
Weight, g/mol:	321.157623
ΔH_f, kcal/mol:	-210.27
Dipole, Da:	4.75
IP(EA), eV:	-9.48(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methoxy-6-(methoxycarbonylamino)-5-methyl-6-phenylhex-3-enoate

Drug info:

PubChemData

Smile

COC1=C2C=COC2=NC(=C1C(=CC(=O)OC)OC)C(=O)OC

DOS

IR

Vibrations