Geometry & MOs

Info

ID:	204181
PubChem CID:	79925718
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	236.225249
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	0.57
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(CC2=O)CC3=CC(=C(C=C3)Cl)N

DOS

IR

Vibrations