Geometry & MOs

Info

ID:	351676
PubChem CID:	127280763
Reduced:	O3N5C20H33 (1)
Stoich.:	A3B5C20D33 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-92.48
Dipole, Da:	4.64
IP(EA), eV:	-8.78(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)CC3=NOC(=N3)C4CCOCC4

DOS

IR

Vibrations