Geometry & MOs

Info

ID:	369582
PubChem CID:	127334769
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-96.76
Dipole, Da:	11.06
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N2)C3CCCN3C(=O)C4CCS(=O)(=O)CC4

DOS

IR

Vibrations