Geometry & MOs

Info

ID:	392354
PubChem CID:	135014686
Reduced:	NO2C30H31 (1)
Stoich.:	AB2C30D31 (1)
Weight, g/mol:	314.107357
ΔH_f, kcal/mol:	7.36
Dipole, Da:	5.28
IP(EA), eV:	-8.49(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(4-chlorophenyl)-2-[(2,5-dimethylphenyl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C/1=C/N([C@H]([C@@H](/C=C\[C@@H]1C2=CC=CC=C2)C3=CC=CC=C3)C)CC4=CC=CC=C4

DOS

IR

Vibrations