Geometry & MOs

Info

ID:	246003
PubChem CID:	103035448
Reduced:	O3C17H32 (1)
Stoich.:	A3B17C32 (1)
Weight, g/mol:	257.118257
ΔH_f, kcal/mol:	-181.6
Dipole, Da:	4.58
IP(EA), eV:	-9.2(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-amino-4-chlorophenyl)-4-methoxy-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

CCOC1(CCC(CC1)(C)C)C(=O)CCC(C)(C)OC

DOS

IR

Vibrations