Geometry & MOs

Info

ID:	321400
PubChem CID:	126665955
Reduced:	ClON5C17H20 (1)
Stoich.:	ABC5D17E20 (1)
Weight, g/mol:	599.215567
ΔH_f, kcal/mol:	-5.0
Dipole, Da:	4.89
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[(4-aminophenyl)-hydroxymethyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=C1CCCC2)N3C(=O)C4=C(N=CN4)N=C3N.Cl

DOS

IR

Vibrations