Geometry & MOs

Info

ID:	59777
PubChem CID:	24896796
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-138.98
Dipole, Da:	6.43
IP(EA), eV:	-8.75(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-3-(methylamino)-1-(N-methylanilino)propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCC2=CC=C(C=C2)C3=CC(=C(C=C3)C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations