Geometry & MOs

Info

ID:	368395
PubChem CID:	127328303
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	4.08
IP(EA), eV:	-9.07(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(3-pyrazol-1-ylbenzoyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=CC=N4

DOS

IR

Vibrations