Geometry & MOs

Info

ID:

189503

PubChem CID:

77866969

Reduced:

F2N5O5C30H37 (1)

Stoich.:

A2B5C5D30E37 (1)

Weight, g/mol:

543.265711

ΔHf, kcal/mol:

-223.06

Dipole, Da:

4.44

IP(EA), eV:

 -8.88(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-[5-(2-hydroxy-2-methylpropoxy)-4-methyl-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CC1=C(N(N=C1OCC2COC(O2)(C)C)C3=CC=CC=C3)NC(=O)NC4CN(CC4C5=CC(=C(C=C5)F)F)CCOC

DOS

IR

Vibrations