Geometry & MOs

Info

ID:	141710
PubChem CID:	52920178
Reduced:	NO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	498.200651
ΔH_f, kcal/mol:	-182.96
Dipole, Da:	4.36
IP(EA), eV:	-9.05(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[2-[3-(difluoromethyl)-4-(3-methylphenyl)phenyl]-5-phenylmethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=C1OCOC)C)OCOC)C(=O)/C=C/C2=CN=CC=C2)O

DOS

IR

Vibrations