Geometry & MOs

Info

ID:	139031
PubChem CID:	52462120
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	-27.73
Dipole, Da:	9.65
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2R)-3-methyl-1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

DOS

IR

Vibrations