Geometry & MOs

Info

ID:	158487
PubChem CID:	56463992
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	406.132717
ΔH_f, kcal/mol:	-36.82
Dipole, Da:	3.71
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-[2-[cyclopropyl(methyl)amino]propyl]-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC(C2=NC(=NO2)C3CC3)C(C)C)OCC4=CC=NC=C4

DOS

IR

Vibrations