Geometry & MOs

Info

ID:	292666
PubChem CID:	117356659
Reduced:	ClFNC13H17 (1)
Stoich.:	ABCD13E17 (1)
Weight, g/mol:	241.123342
ΔH_f, kcal/mol:	-61.78
Dipole, Da:	2.34
IP(EA), eV:	-9.21(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-3-methoxy-2,4-dimethylphenyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)CC2CCCN2)F)Cl

DOS

IR

Vibrations