Geometry & MOs

Info

ID:	70778
PubChem CID:	48413856
Reduced:	OS2N6C14H16 (1)
Stoich.:	AB2C6D14E16 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	60.73
Dipole, Da:	7.2
IP(EA), eV:	-8.48(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

DOS

IR

Vibrations