Geometry & MOs

Info

ID:	351743
PubChem CID:	127282143
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	-61.4
Dipole, Da:	6.51
IP(EA), eV:	-8.81(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(1,5-dimethylpyrazole-4-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations