Geometry & MOs

Info

ID:	189508
PubChem CID:	77866974
Reduced:	FO3N5C25H30 (1)
Stoich.:	AB3C5D25E30 (1)
Weight, g/mol:	511.25073
ΔH_f, kcal/mol:	-75.55
Dipole, Da:	4.73
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,5-difluorophenyl)-1-pyrazolidin-3-ylpyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OC)C2=CC=CC=C2)NC(=O)NC3CN(CC3C4=CC=C(C=C4)F)CCOC

DOS

IR

Vibrations