Geometry & MOs

Info

ID:	320781
PubChem CID:	126663336
Reduced:	I2O2N4C21H30 (1)
Stoich.:	A2B2C4D21E30 (1)
Weight, g/mol:	534.01274
ΔH_f, kcal/mol:	-50.98
Dipole, Da:	8.35
IP(EA), eV:	-8.53(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(6-bromo-5-iodo-7-methyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-2-yl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CCCN(CCNC1=NC2=C3N1CCCC3=C(C(=C2I)I)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations