Geometry & MOs

Info

ID:	149227
PubChem CID:	53788899
Reduced:	N2O3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	415.298748
ΔH_f, kcal/mol:	-49.16
Dipole, Da:	1.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.328345
Charge, e:	0

Chem-info

IUPAC name:

N'-benzyl-N'-[3-(dibenzylamino)propyl]-N-methylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[N+](=C1CC=CC=C1CC#N)O

DOS

IR

Vibrations