Geometry & MOs

Info

ID:	445233
PubChem CID:	135265307
Reduced:	PC13H25 (1)
Stoich.:	AB13C25 (1)
Weight, g/mol:	402.146724
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	1.48
IP(EA), eV:	-8.25(3.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[4-(4-methoxyphenyl)phenyl]phenoxy]-2-oxoethyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)P2CCC(CC2)C

DOS

IR

Vibrations