Geometry & MOs

Info

ID:	189510
PubChem CID:	77866991
Reduced:	NOF5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	534.255481
ΔH_f, kcal/mol:	-277.56
Dipole, Da:	2.87
IP(EA), eV:	-9.56(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexa-1,5-dien-1-yl-4-methyl-5-pyridin-3-ylpyrazol-3-yl)-3-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

Drug info:

PubChemData

Smile

COCC(C(F)(F)F)N1CCC(C1)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations