Geometry & MOs

Info

ID:	416663
PubChem CID:	135089990
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	275.17461
ΔH_f, kcal/mol:	-7.76
Dipole, Da:	1.55
IP(EA), eV:	-9.02(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopent-3-en-1-yl-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C3=CC=NC=C3

DOS

IR

Vibrations