Geometry & MOs

Info

ID:	351768
PubChem CID:	127282168
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-35.1
Dipole, Da:	6.13
IP(EA), eV:	-9.18(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[4-(1,2,4-triazol-1-yl)benzoyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations