Geometry & MOs

Info

ID:	351483
PubChem CID:	127280371
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-35.89
Dipole, Da:	4.07
IP(EA), eV:	-8.94(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-pyrimidin-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C(=O)CN4CCCC4)NN=C2

DOS

IR

Vibrations