Geometry & MOs

Info

ID:	137560
PubChem CID:	52228535
Reduced:	O2N4C21H27 (1)
Stoich.:	A2B4C21D27 (1)
Weight, g/mol:	320.133634
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	1.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752084
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C

DOS

IR

Vibrations