Geometry & MOs

Info

ID:	79781
PubChem CID:	49830339
Reduced:	ON3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	532.147073
ΔH_f, kcal/mol:	11.81
Dipole, Da:	3.22
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[7-amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC=CN2)C(=O)N

DOS

IR

Vibrations