Geometry & MOs

Info

ID:	149438
PubChem CID:	53789111
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	416.198759
ΔH_f, kcal/mol:	43.02
Dipole, Da:	3.67
IP(EA), eV:	-9.3(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenoxyphenyl)methyl 4-(4-methoxyphenyl)-2-propan-2-ylbut-3-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC(CN2C=CN=C2)OCC=CC3=CC=CC=C3

DOS

IR

Vibrations