Geometry & MOs

Info

ID:	225131
PubChem CID:	85741909
Reduced:	C10H13 (2)
Stoich.:	A10B13 (2)
Weight, g/mol:	245.056543
ΔH_f, kcal/mol:	7.04
Dipole, Da:	1.05
IP(EA), eV:	-8.38(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCC1C(C=C(C2=C1CCCC2)CC)C3=CC=CC=C3

DOS

IR

Vibrations