Geometry & MOs

Info

ID:	64754
PubChem CID:	29203951
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	4.83
IP(EA), eV:	-8.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations