Geometry & MOs

Info

ID:	272919
PubChem CID:	103766589
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	173.177964
ΔH_f, kcal/mol:	-38.43
Dipole, Da:	6.42
IP(EA), eV:	-9.53(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylpentan-3-ylamino)butan-2-ol

Drug info:

PubChemData

Smile

CCC1(CCCC1)CNC(=O)C2=C(NN=C2)C

DOS

IR

Vibrations