Geometry & MOs

Info

ID:	147979
PubChem CID:	53787641
Reduced:	N3O6C26H35 (1)
Stoich.:	A3B6C26D35 (1)
Weight, g/mol:	563.636902
ΔH_f, kcal/mol:	-260.77
Dipole, Da:	3.82
IP(EA), eV:	-9.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-dodecyl-14-methylhexacosan-13-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)C=CC(=O)N2CCC[C@H](C2)C(=O)NC3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations