Geometry & MOs

Info

ID:	320252
PubChem CID:	126659006
Reduced:	N3H15C23 (1)
Stoich.:	A3B15C23 (1)
Weight, g/mol:	256.24023
ΔH_f, kcal/mol:	116.04
Dipole, Da:	2.26
IP(EA), eV:	-8.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexan-2-yl 2-butylhexanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)C6=C(N5)N=CC=C6

DOS

IR

Vibrations