Geometry & MOs

Info

ID:	69226
PubChem CID:	46530479
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	383.114903
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	3.99
IP(EA), eV:	-8.53(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[4-(carbamoylamino)phenyl]-5-chloro-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)/C=C/C(=O)NC(C3CC3)C4=CC=CC=C4)OC

DOS

IR

Vibrations