Geometry & MOs

Info

ID:	440369
PubChem CID:	135230328
Reduced:	ClN2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	472.222289
ΔH_f, kcal/mol:	-10.52
Dipole, Da:	1.57
IP(EA), eV:	-8.6(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-3-[4-methyl-5-(1-methylpyrazol-4-yl)-2-phenylpyrazol-3-yl]urea

Drug info:

PubChemData

Smile

CCNC/C(=C/N)/CCl

DOS

IR

Vibrations