Geometry & MOs

Info

ID:	439572
PubChem CID:	135229348
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	233.9654
ΔH_f, kcal/mol:	29.96
Dipole, Da:	2.46
IP(EA), eV:	-8.28(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-2-methyl-1H-1,3-diazepine

Drug info:

PubChemData

Smile

CSC1CCN(C1)CC(=O)C2CCN(CC2)C3=NC=C(C=C3)C4=NC=CC=N4

DOS

IR

Vibrations