Geometry & MOs

Info

ID:	70790
PubChem CID:	48413875
Reduced:	O3N4C16H20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	4.55
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NCC(=O)NCC2=C(NN=C2)C

DOS

IR

Vibrations