Geometry & MOs

Info

ID:	49662
PubChem CID:	11533491
Reduced:	N2O2H12C15 (2)
Stoich.:	A2B2C12D15 (2)
Weight, g/mol:	504.190989
ΔH_f, kcal/mol:	-39.3
Dipole, Da:	5.71
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-phenyl-5-[(3-pyridin-3-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C2(C4=CC5=C(C=C4)N=C(N5)NC(=O)OCC6=CC=CC=C6)O

DOS

IR

Vibrations