Geometry & MOs

Info

ID:	339582
PubChem CID:	127261572
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	365.199094
ΔH_f, kcal/mol:	-72.7
Dipole, Da:	3.33
IP(EA), eV:	-9.17(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[cyano-(3-phenoxy-2-propan-2-ylphenyl)methyl] hexanoate

Drug info:

PubChemData

Smile

C1=CC2=CC(=C3C=CC=NC3=C2N=C1)N(CCCO)C(=O)CCCCC(=O)N

DOS

IR

Vibrations