Geometry & MOs

Info

ID:	361483
PubChem CID:	127303618
Reduced:	N3O3C21H37 (1)
Stoich.:	A3B3C21D37 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-180.73
Dipole, Da:	3.89
IP(EA), eV:	-8.97(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylcyclohexyl)-2-[4-[3-(triazol-1-yl)propanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)CCC3CCCCO3

DOS

IR

Vibrations