Geometry & MOs

Info

ID:	437614
PubChem CID:	135226661
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	126.115698
ΔH_f, kcal/mol:	36.05
Dipole, Da:	0.67
IP(EA), eV:	-8.92(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2,8-diazabicyclo[4.2.0]octane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C2=CC=CC=C2C=C)ON

DOS

IR

Vibrations