Geometry & MOs

Info

ID:	42096
PubChem CID:	8149181
Reduced:	OSN3C19H28 (1)
Stoich.:	ABC3D19E28 (1)
Weight, g/mol:	270.149891
ΔH_f, kcal/mol:	-34.0
Dipole, Da:	7.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.832520
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(4-chlorophenyl)methylamino]-3-(diethylamino)propan-2-ol

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)[NH+]4CCC[C@@H](C4)C

DOS

IR

Vibrations