Geometry & MOs

Info

ID:	139772
PubChem CID:	52592701
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	385.197712
ΔH_f, kcal/mol:	-25.26
Dipole, Da:	4.05
IP(EA), eV:	-8.84(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylcyclohexyl)-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(C)C)NC(=O)N2CCC(CC2)C3=CC=CC=C3

DOS

IR

Vibrations