Geometry & MOs

Info

ID:	70890
PubChem CID:	48414004
Reduced:	OSN7C15H19 (1)
Stoich.:	ABC7D15E19 (1)
Weight, g/mol:	352.164774
ΔH_f, kcal/mol:	56.17
Dipole, Da:	4.04
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,4-N-bis[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=C(N3C(=NC(=N3)SC)N=C2C)C

DOS

IR

Vibrations