Geometry & MOs

Info

ID:	351172
PubChem CID:	127279730
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	-71.94
Dipole, Da:	5.39
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CN2C=C(C=N2)NC(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations