Geometry & MOs

Info

ID:	351295
PubChem CID:	127280183
Reduced:	O2N5C21H35 (1)
Stoich.:	A2B5C21D35 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-85.77
Dipole, Da:	5.34
IP(EA), eV:	-8.62(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations