Geometry & MOs

Info

ID:	425931
PubChem CID:	135132417
Reduced:	NP2O9C12H17 (1)
Stoich.:	AB2C9D12E17 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-496.04
Dipole, Da:	5.06
IP(EA), eV:	-9.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)-3-methylbutyl]-5-ethyl-4-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC(C(=O)OCC1=CC=CC=C1)(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations