Geometry & MOs

Info

ID:	313283
PubChem CID:	126613446
Reduced:	NSO3H7C10 (2)
Stoich.:	ABC3D7E10 (2)
Weight, g/mol:	144.126263
ΔH_f, kcal/mol:	-147.11
Dipole, Da:	10.45
IP(EA), eV:	-9.03(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-diaminocyclohexyl)methanol

Drug info:

PubChemData

Smile

C1C2=CC=CC3=C2C(=CC=C3)C=C1C4=NC5=C(N4)C=C(C=C5S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations