Geometry & MOs

Info

ID:	283984
PubChem CID:	104023599
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	327.04444
ΔH_f, kcal/mol:	-82.57
Dipole, Da:	3.72
IP(EA), eV:	-8.88(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-chloro-1-methylimidazol-4-yl)sulfonyl-3,4-dihydro-2H-1,5-benzoxazepine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(CN1CCCOC2=CC=CC=C21)O

DOS

IR

Vibrations