Geometry & MOs

Info

ID:	351570
PubChem CID:	127280462
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	382.211724
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	7.26
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N(C1=O)CCC(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations