Geometry & MOs

Info

ID:	413212
PubChem CID:	135086158
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	374.136553
ΔH_f, kcal/mol:	-202.77
Dipole, Da:	1.42
IP(EA), eV:	-9.31(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(3,4-dimethoxyphenyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CCCC1=CC=CC=C1)[C@H](CO)O

DOS

IR

Vibrations