Geometry & MOs

Info

ID:	237356
PubChem CID:	92718863
Reduced:	NO2C19H25 (1)
Stoich.:	AB2C19D25 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-49.43
Dipole, Da:	1.44
IP(EA), eV:	-8.35(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(4-butylphenyl)-(3,4-dimethoxyphenyl)methanamine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)[C@H](C2=CC(=C(C=C2)OC)OC)N

DOS

IR

Vibrations