Geometry & MOs

Info

ID:	330622
PubChem CID:	127248029
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-67.44
Dipole, Da:	5.68
IP(EA), eV:	-8.42(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1C)C(=O)N3CCC(C3)(CN4CCCC4)O

DOS

IR

Vibrations