Geometry & MOs

Info

ID:	167533
PubChem CID:	74844226
Reduced:	ClO2N5C25H31 (1)
Stoich.:	AB2C5D25E31 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	0.39
Dipole, Da:	3.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.901594
Charge, e:	0

Chem-info

IUPAC name:

N-[[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=NC4=C(C=CC(=C4)Cl)C(=N3)NCC5CCCO5

DOS

IR

Vibrations