Geometry & MOs

Info

ID:	79808
PubChem CID:	49830544
Reduced:	O3N5H17C20 (1)
Stoich.:	A3B5C17D20 (1)
Weight, g/mol:	334.038816
ΔH_f, kcal/mol:	17.25
Dipole, Da:	2.76
IP(EA), eV:	-8.19(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC(=C1)CNC2=C(C(=O)C2=O)NC3=CC4=C(C=C3)NN=C4

DOS

IR

Vibrations