Geometry & MOs

Info

ID:	271712
PubChem CID:	103689416
Reduced:	ClOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-35.82
Dipole, Da:	4.08
IP(EA), eV:	-9.32(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-methoxy-4-methylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC=O)Cl

DOS

IR

Vibrations