Geometry & MOs

Info

ID:	377530
PubChem CID:	134223587
Reduced:	N3O3C16H19 (2)
Stoich.:	A3B3C16D19 (2)
Weight, g/mol:	396.32396
ΔH_f, kcal/mol:	-156.44
Dipole, Da:	7.64
IP(EA), eV:	-8.67(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethyl-4-prop-2-enoyloxypentan-2-yl) 2-hexyloctanoate

Drug info:

PubChemData

Smile

CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)NC4=CC=C(C=C4)C5CCN(CC5)CCO

DOS

IR

Vibrations