Geometry & MOs

Info

ID:	161888
PubChem CID:	57392953
Reduced:	O3N4H42C48 (1)
Stoich.:	A3B4C42D48 (1)
Weight, g/mol:	358.06959
ΔH_f, kcal/mol:	144.81
Dipole, Da:	3.97
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-methoxy-4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=NOC2=C1N=C(CC(C2C(C3C(CC(=NC4=C3ON=C4C)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)OC)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations