Geometry & MOs

Info

ID:	163114
PubChem CID:	57642287
Reduced:	N5O5C33H41 (1)
Stoich.:	A5B5C33D41 (1)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-163.26
Dipole, Da:	6.5
IP(EA), eV:	-8.65(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-ethylhexanoyloxy)-2,2-dimethylpropyl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NN(C1=O)CC(=O)NC3=CC(=CC=C3)N4CCC[C@H]4C(=O)O)C5CCCCC5

DOS

IR

Vibrations