Geometry & MOs

Info

ID:	179743
PubChem CID:	76525117
Reduced:	FO2N6H25C26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	538.238019
ΔH_f, kcal/mol:	40.99
Dipole, Da:	2.09
IP(EA), eV:	-8.57(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[2-(4-fluorophenyl)-4-(3-phenylpyrrolidine-1-carbonyl)pyrazol-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)N3CCC4CN(C4C3)C5=NC(=C(O5)C6=CC=C(C=C6)F)C

DOS

IR

Vibrations