Geometry & MOs

Info

ID:	162979
PubChem CID:	57581169
Reduced:	O2N5H9C10 (1)
Stoich.:	A2B5C9D10 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	36.87
Dipole, Da:	3.92
IP(EA), eV:	-9.66(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-methylphenyl)-4-methoxy-N-(1-methylazetidin-3-yl)-5-(4-methylphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)N=C(N2)CN=[N+]=[N-]

DOS

IR

Vibrations