Geometry & MOs

Info

ID:	213570
PubChem CID:	81064222
Reduced:	NOC7H15 (2)
Stoich.:	ABC7D15 (2)
Weight, g/mol:	246.230728
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	3.38
IP(EA), eV:	-8.83(1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butan-1-ol

Drug info:

PubChemData

Smile

CCNC1(CCC(C1)N(C)CCOC(C)C)CO

DOS

IR

Vibrations