Geometry & MOs

Info

ID:	363883
PubChem CID:	127313540
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	4.19
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-5-ethyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(O2)C(=O)NCCN3CCN(CC3)C(=O)C4CCC4

DOS

IR

Vibrations