Geometry & MOs

Info

ID:	69234
PubChem CID:	46530494
Reduced:	O2N6C25H26 (1)
Stoich.:	A2B6C25D26 (1)
Weight, g/mol:	321.099252
ΔH_f, kcal/mol:	13.63
Dipole, Da:	6.13
IP(EA), eV:	-8.38(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1,3-dimethyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)NC4=CC=C(C=C4)NC(=O)NC

DOS

IR

Vibrations