Geometry & MOs

Info

ID:	200601
PubChem CID:	79415351
Reduced:	BrNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	4.39
IP(EA), eV:	-9.11(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-1-(3-ethoxyphenyl)pentan-1-ol

Drug info:

PubChemData

Smile

CCCC(CN)C(C1=C(C=CC(=C1)Br)OC)O

DOS

IR

Vibrations