Geometry & MOs

Info

ID:	126835
PubChem CID:	50980715
Reduced:	F2N3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	4.52
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-N-ethyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCCN1C2=C(C=CC(=C2)C(=O)O)N(C1=O)CC3=C(C=CC=C3F)F

DOS

IR

Vibrations