Geometry & MOs

Info

ID:	137561
PubChem CID:	52228536
Reduced:	F2N2O2C17H18 (1)
Stoich.:	A2B2C2D17E18 (1)
Weight, g/mol:	320.133634
ΔH_f, kcal/mol:	-159.34
Dipole, Da:	4.93
IP(EA), eV:	-8.57(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N[C@@H](C)C2=CC(=CC=C2)OC(F)F

DOS

IR

Vibrations