Geometry & MOs

Info

ID:	30852
PubChem CID:	842008
Reduced:	OSN2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	278.093439
ΔH_f, kcal/mol:	-22.7
Dipole, Da:	6.56
IP(EA), eV:	-7.89(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=S)NC[C@@H]2CCCO2

DOS

IR

Vibrations