Geometry & MOs

Info

ID:	177228
PubChem CID:	76148564
Reduced:	BrNSO2C16H20 (1)
Stoich.:	ABCD2E16F20 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	5.77
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C(=O)N2C3CCC2CC(C3)SC

DOS

IR

Vibrations