Geometry & MOs

Info

ID:	285492
PubChem CID:	104109895
Reduced:	ClON2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	227.107692
ΔH_f, kcal/mol:	-84.72
Dipole, Da:	4.38
IP(EA), eV:	-8.78(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chloropentan-2-ylamino)methyl]phenol

Drug info:

PubChemData

Smile

CCN1CCOC(C1)CNC(C)CC(C)Cl

DOS

IR

Vibrations