Geometry & MOs

Info

ID:	320792
PubChem CID:	126663449
Reduced:	N2P3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	517.98884
ΔH_f, kcal/mol:	25.71
Dipole, Da:	2.14
IP(EA), eV:	-8.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(benzotriazol-1-yl)-5,7-dibromo-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CN2P)CCN(P)P

DOS

IR

Vibrations