Geometry & MOs

Info

ID:	277296
PubChem CID:	103827673
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	226.10659
ΔH_f, kcal/mol:	-42.71
Dipole, Da:	3.96
IP(EA), eV:	-8.81(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanediamide

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNC2=NC=NC3=C2CCCCC3

DOS

IR

Vibrations