Geometry & MOs

Info

ID:	88518
PubChem CID:	49904005
Reduced:	ClSN3O7H12C21 (1)
Stoich.:	ABC3D7E12F21 (1)
Weight, g/mol:	348.136646
ΔH_f, kcal/mol:	-38.96
Dipole, Da:	10.1
IP(EA), eV:	-9.4(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(3-methoxy-4-prop-2-enoxyphenyl)methylamino]-1-phenylethanol;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)/SC2=O)[N+](=O)[O-]

DOS

IR

Vibrations