Geometry & MOs

Info

ID:	200600
PubChem CID:	79415350
Reduced:	ON2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	301.06774
ΔH_f, kcal/mol:	-86.91
Dipole, Da:	2.54
IP(EA), eV:	-8.56(2.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol

Drug info:

PubChemData

Smile

CCCC(CN)C1(CCN(CC1)CCC)O

DOS

IR

Vibrations