Geometry & MOs

Info

ID:	158798
PubChem CID:	56479303
Reduced:	ON3C11H13 (2)
Stoich.:	AB3C11D13 (2)
Weight, g/mol:	438.263091
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	3.29
IP(EA), eV:	-8.51(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[3-methyl-1-[methyl-[2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl]amino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C3=C4N=CC=CN4N=C3C

DOS

IR

Vibrations