Geometry & MOs

Info

ID:	155563
PubChem CID:	56365901
Reduced:	O4N7C25H29 (1)
Stoich.:	A4B7C25D29 (1)
Weight, g/mol:	463.238353
ΔH_f, kcal/mol:	-5.28
Dipole, Da:	4.63
IP(EA), eV:	-8.12(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-5-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)pentan-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=C(N(N=N3)C4=CC(=CC=C4)[N+](=O)[O-])C

DOS

IR

Vibrations