Geometry & MOs

Info

ID:	288514
PubChem CID:	104317962
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	1.97
IP(EA), eV:	-8.28(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-aminopyridin-4-yl)-methylamino]butan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SCCC(C)O)N

DOS

IR

Vibrations