Geometry & MOs

Info

ID:	69512
PubChem CID:	47193687
Reduced:	OCl2N4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	312.054466
ΔH_f, kcal/mol:	-1.73
Dipole, Da:	2.94
IP(EA), eV:	-9.43(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dichlorophenyl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1=CN(N=C1)CCCNC(=O)NC2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations