Geometry & MOs

Info

ID:	217518
PubChem CID:	85087933
Reduced:	ClO2C23H27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	370.06922
ΔH_f, kcal/mol:	-71.05
Dipole, Da:	5.15
IP(EA), eV:	-8.8(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(1-ethyl-4-fluoropyrrolidin-2-yl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations