Geometry & MOs

Info

ID:	221563
PubChem CID:	85279789
Reduced:	O2C4H7 (2)
Stoich.:	A2B4C7 (2)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	-184.36
Dipole, Da:	2.76
IP(EA), eV:	-10.05(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-9,10-diazatetracyclo[6.2.2.02,7.03,6]dodec-9-ene

Drug info:

PubChemData

Smile

CC1(OCC2C(CO1)OCO2)C

DOS

IR

Vibrations