Geometry & MOs

Info

ID:	201895
PubChem CID:	79600411
Reduced:	ON2C16H28 (1)
Stoich.:	AB2C16D28 (1)
Weight, g/mol:	236.188863
ΔH_f, kcal/mol:	-60.73
Dipole, Da:	5.47
IP(EA), eV:	-8.01(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminoethyl)-5-[butyl(ethyl)amino]phenol

Drug info:

PubChemData

Smile

CCCCN(CC)C1=CC(=C(C=C1)C(C)NCC)O

DOS

IR

Vibrations