Geometry & MOs

Info

ID:	49306
PubChem CID:	11532768
Reduced:	ON5C29H29 (1)
Stoich.:	AB5C29D29 (1)
Weight, g/mol:	463.390456
ΔH_f, kcal/mol:	51.98
Dipole, Da:	7.36
IP(EA), eV:	-8.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-aminoethoxy)ethyl]-3-(octadecylamino)propanamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC(=C2C=C1)C3CCN(CC3)CCC4=C5C=CC6=C(N=CN6C5=CC=C4)C(=O)N

DOS

IR

Vibrations