Geometry & MOs

Info

ID:	285453
PubChem CID:	104105709
Reduced:	NOC16H27 (1)
Stoich.:	ABC16D27 (1)
Weight, g/mol:	279.219829
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	2.9
IP(EA), eV:	-8.95(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(3-methylbutoxy)phenyl]methylamino]pentan-2-ol

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CC=C1)NC(C)CC(C)O

DOS

IR

Vibrations