Geometry & MOs

Info

ID:	189504
PubChem CID:	77866970
Reduced:	F2O4N5C28H35 (1)
Stoich.:	A2B4C5D28E35 (1)
Weight, g/mol:	467.243359
ΔH_f, kcal/mol:	-182.54
Dipole, Da:	4.36
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-3-yl]-3-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC(C)(C)O)C2=CC=CC=C2)NC(=O)NC3CN(CC3C4=CC(=C(C=C4)F)F)CCOC

DOS

IR

Vibrations