Geometry & MOs

Info

ID:	405259
PubChem CID:	135073203
Reduced:	BrNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	224.156501
ΔH_f, kcal/mol:	25.67
Dipole, Da:	1.06
IP(EA), eV:	-8.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CO1)CN2C=C(C3=CC=CC=C32)Br

DOS

IR

Vibrations