Geometry & MOs

Info

ID:	447744
PubChem CID:	135285264
Reduced:	NOC9H21 (1)
Stoich.:	ABC9D21 (1)
Weight, g/mol:	261.266779
ΔH_f, kcal/mol:	-85.64
Dipole, Da:	3.19
IP(EA), eV:	-9.34(2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-butyl-6-(hydroxymethyl)decan-5-yl]azanium;hydroxide

Drug info:

PubChemData

Smile

CCC(CC)(C(C)C(C)O)N

DOS

IR

Vibrations