Geometry & MOs

Info

ID:	370781
PubChem CID:	127340563
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-55.85
Dipole, Da:	4.16
IP(EA), eV:	-8.84(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclopentyl-1,4-diazepan-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)C3CCC=CC3

DOS

IR

Vibrations