Geometry & MOs

Info

ID:	198486
PubChem CID:	79107478
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	292.158706
ΔH_f, kcal/mol:	-91.81
Dipole, Da:	2.13
IP(EA), eV:	-8.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,5-dimethylpyrrol-1-yl)amino]-3-[(2-fluorophenyl)methoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CN1CC2=CC=C(C=C2)C(=O)OC)O

DOS

IR

Vibrations