Geometry & MOs

Info

ID:	355589
PubChem CID:	127289347
Reduced:	SO3N7C16H25 (1)
Stoich.:	AB3C7D16E25 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-63.91
Dipole, Da:	10.11
IP(EA), eV:	-8.9(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-(2-pyrrolidin-1-ylpyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)N2CCN(CC2)CC3=NC=CN3C

DOS

IR

Vibrations