Geometry & MOs

Info

ID:

189505

PubChem CID:

77866971

Reduced:

ON7C27H29 (1)

Stoich.:

AB7C27D29 (1)

Weight, g/mol:

487.239496

ΔHf, kcal/mol:

89.56

Dipole, Da:

3.75

IP(EA), eV:

 -8.79(-0.38)

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-[4-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]-2-methylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

C1CC2=C(N(N=C2C1)C3=CC=CC=C3)NC(=O)NC4CN(CC4C5=CC=CC=C5)CC6=NC=CN6

DOS

IR

Vibrations