Geometry & MOs

Info

ID:	148211
PubChem CID:	53787873
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	237.111341
ΔH_f, kcal/mol:	-74.69
Dipole, Da:	4.95
IP(EA), eV:	-9.56(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C=C=C(C[C@H](CO)N1C=CC(=NC1=O)N)CO

DOS

IR

Vibrations