Geometry & MOs

Info

ID:	404071
PubChem CID:	135064828
Reduced:	NOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	1140.215093
ΔH_f, kcal/mol:	-7.78
Dipole, Da:	3.63
IP(EA), eV:	-8.8(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1[C@@H](OC2=CC=CC=C21)C(=O)C3=NC=CN3

DOS

IR

Vibrations