Geometry & MOs

Info

ID:	345786
PubChem CID:	127270086
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-17.34
Dipole, Da:	3.68
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)NC2=CC3=C(C=C2)N=CN3

DOS

IR

Vibrations