Geometry & MOs

Info

ID:	371469
PubChem CID:	127346533
Reduced:	N3O4C16H27 (1)
Stoich.:	A3B4C16D27 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-186.31
Dipole, Da:	4.26
IP(EA), eV:	-8.86(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone

Drug info:

PubChemData

Smile

C1COCC1CC(=O)NC2CC(=O)N(C2)CCN3CCOCC3

DOS

IR

Vibrations