Geometry & MOs

Info

ID:	145529
PubChem CID:	53538881
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	324.206245
ΔH_f, kcal/mol:	-171.08
Dipole, Da:	6.57
IP(EA), eV:	-9.11(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,2,5-tetramethyl-4-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCC(CC3)C4OCCO4

DOS

IR

Vibrations