Geometry & MOs

Info

ID:	446971
PubChem CID:	135279214
Reduced:	O3N5C18H31 (1)
Stoich.:	A3B5C18D31 (1)
Weight, g/mol:	382.214409
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	4.72
IP(EA), eV:	-8.24(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-octoxyphenyl)-2-oxoethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CON(C)C(=O)CN2CCC(CC2)N3CCN(CC3)C

DOS

IR

Vibrations