Geometry & MOs

Info

ID:	198487
PubChem CID:	79108015
Reduced:	FN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	328.074533
ΔH_f, kcal/mol:	-88.97
Dipole, Da:	4.66
IP(EA), eV:	-8.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dichlorophenoxy)-3-[(2,5-dimethylpyrrol-1-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(N1NCC(COCC2=CC=CC=C2F)O)C

DOS

IR

Vibrations