Geometry & MOs

Info

ID:	138070
PubChem CID:	52306111
Reduced:	N2O3C22H30 (1)
Stoich.:	A2B3C22D30 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-107.82
Dipole, Da:	5.39
IP(EA), eV:	-9.13(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea

Drug info:

PubChemData

Smile

CCN(C[C@H]1CCOC1)C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations