Geometry & MOs

Info

ID:	225701
PubChem CID:	87225374
Reduced:	PN7O7C28H32 (1)
Stoich.:	AB7C7D28E32 (1)
Weight, g/mol:	554.513492
ΔH_f, kcal/mol:	-276.7
Dipole, Da:	10.53
IP(EA), eV:	-8.29(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminotetradecanoylamino)-N-(dodecanoylamino)-N-propylpropan-1-amine oxide

Drug info:

PubChemData

Smile

CC(C)(C1=C/C(=C\2/NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)CNC(=O)N)O)C(=O)NCCP(=O)(O)O

DOS

IR

Vibrations