Geometry & MOs

Info

ID:	324037
PubChem CID:	126676797
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-87.04
Dipole, Da:	3.46
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[amino-[(Z)-2-amino-3-hydroxyprop-1-enyl]amino]cyclohexyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2CCC3=C(C2=O)C=C(C=C3)CO

DOS

IR

Vibrations