Geometry & MOs

Info

ID:	36527
PubChem CID:	8008014
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-175.11
Dipole, Da:	3.41
IP(EA), eV:	-8.97(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-3-[(1R,2R)-2-[(3-methylphenyl)carbamoylamino]cyclohexyl]urea

Drug info:

PubChemData

Smile

CC(C)CNC(=O)NC(=O)COC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations