Geometry & MOs

Info

ID:	321306
PubChem CID:	126665751
Reduced:	OF3N5H28C29 (1)
Stoich.:	AB3C5D28E29 (1)
Weight, g/mol:	579.245724
ΔH_f, kcal/mol:	-63.34
Dipole, Da:	3.29
IP(EA), eV:	-9.11(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[(N-methylanilino)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=CC=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F

DOS

IR

Vibrations