Geometry & MOs

Info

ID:	180691
PubChem CID:	76669355
Reduced:	NO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	407.11448
ΔH_f, kcal/mol:	-73.35
Dipole, Da:	2.19
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC(OC(C1)C2=CC=CC=C2)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations