Geometry & MOs

Info

ID:	246235
PubChem CID:	103058779
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	242.235814
ΔH_f, kcal/mol:	20.93
Dipole, Da:	7.65
IP(EA), eV:	-9.02(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[[methyl(2-methylbutyl)amino]methyl]oxan-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OCC2=CN=C(C=N2)NC)[N+](=O)[O-]

DOS

IR

Vibrations