Geometry & MOs

Info

ID:	364377
PubChem CID:	127315554
Reduced:	O2N4C13H24 (1)
Stoich.:	A2B4C13D24 (1)
Weight, g/mol:	375.147744
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	5.33
IP(EA), eV:	-8.85(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperazin-1-yl)-[1-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCCN2C(=O)N(C)C

DOS

IR

Vibrations