Geometry & MOs

Info

ID:	369577
PubChem CID:	127334764
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-99.16
Dipole, Da:	2.41
IP(EA), eV:	-8.6(-0.18)
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-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N2)C3CCCN3C(=O)CCC(=O)N4CCOCC4

DOS

IR

Vibrations