Geometry & MOs

Info

ID:	231448
PubChem CID:	87573744
Reduced:	F4N4O4C21H24 (1)
Stoich.:	A4B4C4D21E24 (1)
Weight, g/mol:	899.895281
ΔH_f, kcal/mol:	-304.53
Dipole, Da:	8.61
IP(EA), eV:	-8.56(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azane;1-(chloromethyl)-2,3,4-trioctadecylbenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCC(CC2)NC3=NC=C(C(=N3)C(F)(F)F)C(=O)O)OCCF

DOS

IR

Vibrations