Geometry & MOs

Info

ID:	139760
PubChem CID:	52590700
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	2.99
IP(EA), eV:	-8.59(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(1R,2S)-2-methylcyclohexyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)N[C@H](C)C(C)C

DOS

IR

Vibrations