Geometry & MOs

Info

ID:	319945
PubChem CID:	126657647
Reduced:	O4N5H23C32 (1)
Stoich.:	A4B5C23D32 (1)
Weight, g/mol:	112.052429
ΔH_f, kcal/mol:	8.8
Dipole, Da:	5.87
IP(EA), eV:	-8.44(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC3=C4CCN(C4=CC(=C32)O1)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8N7

DOS

IR

Vibrations