Geometry & MOs

Info

ID:	176592
PubChem CID:	76069784
Reduced:	N3O5C27H39 (1)
Stoich.:	A3B5C27D39 (1)
Weight, g/mol:	354.219495
ΔH_f, kcal/mol:	-220.19
Dipole, Da:	8.16
IP(EA), eV:	-8.56(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methylpentyl)phenyl] 4-butan-2-yloxybenzoate

Drug info:

PubChemData

Smile

COC1CC2C(CC1OC)NC(=O)N(C2=O)CCCCC3C4CCC5=C(C4CN3)C(=CC=C5)OC

DOS

IR

Vibrations