Geometry & MOs

Info

ID:	325132
PubChem CID:	126681234
Reduced:	ClON2C21H23 (1)
Stoich.:	ABC2D21E23 (1)
Weight, g/mol:	563.189272
ΔH_f, kcal/mol:	-2.26
Dipole, Da:	1.81
IP(EA), eV:	-8.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-oxo-1-(2-propan-2-ylphenyl)-4H-imidazol-2-yl]-3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC3=C2CCNC3CC4=C(C(=C(C=C4)C)OC)Cl

DOS

IR

Vibrations