Geometry & MOs

Info

ID:	364758
PubChem CID:	127316089
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	289.165108
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	5.0
IP(EA), eV:	-9.02(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=CC=C2)F)C(=O)N3CCN(CC3)CC4=NC=CN4

DOS

IR

Vibrations