Geometry & MOs

Info

ID:	127348
PubChem CID:	50999341
Reduced:	NOC12H12 (2)
Stoich.:	ABC12D12 (2)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	26.55
Dipole, Da:	2.24
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(3,4-dihydroxyphenyl)-N,N-dimethyl-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@]3(CC4[C@@]1(C(C3CN4)CN2)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations