Geometry & MOs

Info

ID:	145476
PubChem CID:	53530549
Reduced:	BrN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	2.03
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]benzamide

Drug info:

PubChemData

Smile

COC(=O)CN1C=C(C=N1)NC(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations