Geometry & MOs

Info

ID:	49557
PubChem CID:	11533253
Reduced:	N3O7H23C26 (1)
Stoich.:	A3B7C23D26 (1)
Weight, g/mol:	489.217618
ΔH_f, kcal/mol:	-134.42
Dipole, Da:	8.03
IP(EA), eV:	-8.94(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-tert-butyl-2-[4-(hydroxymethyl)phenyl]pyrazol-3-yl]-3-[2-fluoro-4-(2-methylpyridin-4-yl)oxyphenyl]urea

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)OC2=CC(=O)C(=CC2=O)NC3=NC=NC4=CC(=C(C=C43)OC)OCCOC

DOS

IR

Vibrations