Geometry & MOs

Info

ID:	292669
PubChem CID:	117356735
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-64.86
Dipole, Da:	4.05
IP(EA), eV:	-8.84(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)propan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC(=C1)Cl)C(C)CCN)O

DOS

IR

Vibrations