Geometry & MOs

Info

ID:	366524
PubChem CID:	127320040
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	5.05
IP(EA), eV:	-9.54(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-propan-2-ylimidazol-1-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)N2CCC(CC2)C(=O)N3CCCC3)C4=CN=CC=C4

DOS

IR

Vibrations