Geometry & MOs

Info

ID:	426502
PubChem CID:	135144538
Reduced:	NO4C26H31 (1)
Stoich.:	AB4C26D31 (1)
Weight, g/mol:	256.145678
ΔH_f, kcal/mol:	-111.86
Dipole, Da:	2.63
IP(EA), eV:	-8.39(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-2-methylhexan-3-yl) ethyl sulfate;azane

Drug info:

PubChemData

Smile

CC(C)NCCC(O)OC1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations