Geometry & MOs

Info

ID:	154420
PubChem CID:	56313854
Reduced:	OF2N2H9C11 (2)
Stoich.:	AB2C2D9E11 (2)
Weight, g/mol:	440.203525
ΔH_f, kcal/mol:	-175.23
Dipole, Da:	8.07
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[[3-[[1-propan-2-yl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)OC2=C(C=C(C=C2)/C=C/C(=O)NCCNC3=NC=C(C=C3)C(F)(F)F)F

DOS

IR

Vibrations