Geometry & MOs

Info

ID:	70924
PubChem CID:	48414054
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-67.69
Dipole, Da:	6.12
IP(EA), eV:	-8.83(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations