Geometry & MOs

Info

ID:	81651
PubChem CID:	49854966
Reduced:	NOC11H13 (2)
Stoich.:	ABC11D13 (2)
Weight, g/mol:	604.185744
ΔH_f, kcal/mol:	-11.7
Dipole, Da:	3.94
IP(EA), eV:	-8.27(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-4-[[3-fluoro-5-[[2-fluoro-4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]methylamino]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C3=CC=C(C=C3)C45CC4CNC5)OC

DOS

IR

Vibrations